N-[1-[2-[[2-chloro-4-[(1Z,3Z)-1,4-diaminobuta-1,3-dienyl]phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-N-methylacetamide

C24H30ClN7O2 — CID 145315957

IUPACN-[1-[2-[[2-chloro-4-[(1Z,3Z)-1,4-diaminobuta-1,3-dienyl]phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-N-methylacetamide
SMILESCC(=O)N(C)c1cnn(C(=O)N2CC3CN(Cc4ccc(/C(N)=C/C=C\N)cc4Cl)CC3C2)c1
InChIInChI=1S/C24H30ClN7O2/c1-16(33)29(2)21-9-28-32(15-21)24(34)31-13-19-11-30(12-20(19)14-31)10-18-6-5-17(8-22(18)25)23(27)4-3-7-26/h3-9,15,19-20H,10-14,26-27H2,1-2H3/b7-3-,23-4-
InChIKeyYQNQTEUELNOAME-FHDAOAHBSA-N
MW484.00 g/mol
LogP2.32
Rot. Bonds5

About N-[1-[2-[[2-chloro-4-[(1Z,3Z)-1,4-diaminobuta-1,3-dienyl]phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-N-methylacetamide

N-[1-[2-[[2-chloro-4-[(1Z,3Z)-1,4-diaminobuta-1,3-dienyl]phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-N-methylacetamide (PubChem CID 145315957) has the molecular formula C24H30ClN7O2 and a molecular weight of 484.00 g/mol. Its IUPAC name is N-[1-[2-[[2-chloro-4-[(1Z,3Z)-1,4-diaminobuta-1,3-dienyl]phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-[1-[2-[[2-chloro-4-[(1Z,3Z)-1,4-diaminobuta-1,3-dienyl]phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-N-methylacetamide
PubChem CID145315957
Molecular FormulaC24H30ClN7O2
Molecular Weight484.00 g/mol
Exact Mass483.21
IUPAC NameN-[1-[2-[[2-chloro-4-[(1Z,3Z)-1,4-diaminobuta-1,3-dienyl]phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-N-methylacetamide
SMILESCC(=O)N(C)c1cnn(C(=O)N2CC3CN(Cc4ccc(/C(N)=C/C=C\N)cc4Cl)CC3C2)c1
InChIInChI=1S/C24H30ClN7O2/c1-16(33)29(2)21-9-28-32(15-21)24(34)31-13-19-11-30(12-20(19)14-31)10-18-6-5-17(8-22(18)25)23(27)4-3-7-26/h3-9,15,19-20H,10-14,26-27H2,1-2H3/b7-3-,23-4-
InChIKeyYQNQTEUELNOAME-FHDAOAHBSA-N
XLogP2.32
TPSA113.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.00
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze N-[1-[2-[[2-chloro-4-[(1Z,3Z)-1,4-diaminobuta-1,3-dienyl]phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-N-methylacetamide with MolForge

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Related Compounds

N-[1-[2-[(2-chloro-4-pyrimidin-5-yloxyphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-N-methylacetamide
CID 135375556
N-[1-[2-[(2,3-dichlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-N-methylacetamide
CID 135375660
N-[1-[2-[(3,4-dichlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-N-methylacetamide
CID 135375830
N-[1-[2-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-N-methylacetamide;N-[1-[2-[(3,5-dichlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-N-methylacetamide
CID 145315961
N-acetyl-1-[2-[(2-chlorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]-N-methylpyrazole-4-carboxamide
CID 135375736
2-[4-[4-[[5-[4-[acetyl(methyl)amino]pyrazole-1-carbonyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-3-chlorophenyl]morpholin-2-yl]-N-methyl-N-[1-[2-[(4-morpholin-4-ylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]acetamide
CID 145316152
N-methyl-N-[1-[2-[(2-pyrrolidin-1-ylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]acetamide
CID 135375972
[(3aR,6aS)-2-[4-[acetyl(methyl)amino]pyrazole-1-carbonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-[(2,5-dichlorophenyl)methyl]-methylazanium
CID 145315970
[2-[[2-chloro-4-(1,3-thiazol-2-yl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[4-(dimethylamino)pyrazol-1-yl]methanone
CID 145315974
N-methyl-N-[1-[2-[(3-morpholin-4-ylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]acetamide
CID 135375463
N-methyl-N-[1-[2-[(3-pyrrolidin-1-ylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]acetamide
CID 135375571
N-[1-[(3aR,6aS)-5-[(3-chlorophenyl)methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-4-yl]-N-methylacetamide
CID 138716611

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[[2-chloro-4-[(1Z,3Z)-1,4-diaminobuta-1,3-dienyl]phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-N-methylacetamide?
The IUPAC name of N-[1-[2-[[2-chloro-4-[(1Z,3Z)-1,4-diaminobuta-1,3-dienyl]phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-N-methylacetamide (CID 145315957) is N-[1-[2-[[2-chloro-4-[(1Z,3Z)-1,4-diaminobuta-1,3-dienyl]phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-N-methylacetamide.
What is the SMILES notation for N-[1-[2-[[2-chloro-4-[(1Z,3Z)-1,4-diaminobuta-1,3-dienyl]phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-N-methylacetamide?
The canonical SMILES for N-[1-[2-[[2-chloro-4-[(1Z,3Z)-1,4-diaminobuta-1,3-dienyl]phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-N-methylacetamide is CC(=O)N(C)c1cnn(C(=O)N2CC3CN(Cc4ccc(/C(N)=C/C=C\N)cc4Cl)CC3C2)c1.
What is the InChIKey of N-[1-[2-[[2-chloro-4-[(1Z,3Z)-1,4-diaminobuta-1,3-dienyl]phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-N-methylacetamide?
The InChIKey is YQNQTEUELNOAME-FHDAOAHBSA-N. The full InChI is InChI=1S/C24H30ClN7O2/c1-16(33)29(2)21-9-28-32(15-21)24(34)31-13-19-11-30(12-20(19)14-31)10-18-6-5-17(8-22(18)25)23(27)4-3-7-26/h3-9,15,19-20H,10-14,26-27H2,1-2H3/b7-3-,23-4-.
What are the key properties of N-[1-[2-[[2-chloro-4-[(1Z,3Z)-1,4-diaminobuta-1,3-dienyl]phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-N-methylacetamide?
N-[1-[2-[[2-chloro-4-[(1Z,3Z)-1,4-diaminobuta-1,3-dienyl]phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-N-methylacetamide has a molecular weight of 484.00 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[[2-chloro-4-[(1Z,3Z)-1,4-diaminobuta-1,3-dienyl]phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-4-yl]-N-methylacetamide is sourced from PubChem (CID 145315957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).