N-[1-(1-methyltetrazol-5-yl)ethyl]-1-phenyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide

C16H18N8O — CID 138049856

IUPACN-[1-(1-methyltetrazol-5-yl)ethyl]-1-phenyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide
SMILESCC(NC(=O)N1Cc2cnn(-c3ccccc3)c2C1)c1nnnn1C
InChIInChI=1S/C16H18N8O/c1-11(15-19-20-21-22(15)2)18-16(25)23-9-12-8-17-24(14(12)10-23)13-6-4-3-5-7-13/h3-8,11H,9-10H2,1-2H3,(H,18,25)
InChIKeyPGASBUCUSSSUMW-UHFFFAOYSA-N
MW338.38 g/mol
LogP1.18
Rot. Bonds3

About N-[1-(1-methyltetrazol-5-yl)ethyl]-1-phenyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide

N-[1-(1-methyltetrazol-5-yl)ethyl]-1-phenyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide (PubChem CID 138049856) has the molecular formula C16H18N8O and a molecular weight of 338.38 g/mol. Its IUPAC name is N-[1-(1-methyltetrazol-5-yl)ethyl]-1-phenyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(1-methyltetrazol-5-yl)ethyl]-1-phenyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide
PubChem CID138049856
Molecular FormulaC16H18N8O
Molecular Weight338.38 g/mol
Exact Mass338.16
IUPAC NameN-[1-(1-methyltetrazol-5-yl)ethyl]-1-phenyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide
SMILESCC(NC(=O)N1Cc2cnn(-c3ccccc3)c2C1)c1nnnn1C
InChIInChI=1S/C16H18N8O/c1-11(15-19-20-21-22(15)2)18-16(25)23-9-12-8-17-24(14(12)10-23)13-6-4-3-5-7-13/h3-8,11H,9-10H2,1-2H3,(H,18,25)
InChIKeyPGASBUCUSSSUMW-UHFFFAOYSA-N
XLogP1.18
TPSA93.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.38
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(1S)-1-(1-methyltetrazol-5-yl)ethyl]-4-phenylpiperazine-1-carboxamide
CID 124843892
1-phenyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylic acid
CID 90787566
(3aS,7aS)-N-[(1S)-1-(1-phenyltetrazol-5-yl)ethyl]-1,3,3a,4,7,7a-hexahydroisoindole-2-carboxamide
CID 96518819
N-[1-(1-phenyltetrazol-5-yl)ethyl]-1,3,3a,4,7,7a-hexahydroisoindole-2-carboxamide
CID 71869849
N-[(1S)-1-(1-methyltetrazol-5-yl)ethyl]-4-thiophen-2-ylpiperazine-1-carboxamide
CID 124843924
(2R)-2-amino-N-[1-(1-phenyltetrazol-5-yl)ethyl]propanamide
CID 119328864
N-[(1R)-1-(1-phenyltetrazol-5-yl)ethyl]-2,3-dihydroindole-1-carboxamide
CID 99210544
1-[(1S)-1-(1-methyltetrazol-5-yl)ethyl]-3-[(1R)-1-(1-phenylcyclopentyl)ethyl]urea
CID 100703457
N-[(1R)-1-(1-methyltetrazol-5-yl)ethyl]-4-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 124847088
1-phenyl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide
CID 128605086
4-cyclobutyloxy-N-[1-(1-methyltetrazol-5-yl)ethyl]piperidine-1-carboxamide
CID 138049854
N-[2-methyl-5-(1-phenyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carbonyl)phenyl]methanesulfonamide
CID 166208726

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-methyltetrazol-5-yl)ethyl]-1-phenyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide?
The IUPAC name of N-[1-(1-methyltetrazol-5-yl)ethyl]-1-phenyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide (CID 138049856) is N-[1-(1-methyltetrazol-5-yl)ethyl]-1-phenyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide.
What is the SMILES notation for N-[1-(1-methyltetrazol-5-yl)ethyl]-1-phenyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide?
The canonical SMILES for N-[1-(1-methyltetrazol-5-yl)ethyl]-1-phenyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide is CC(NC(=O)N1Cc2cnn(-c3ccccc3)c2C1)c1nnnn1C.
What is the InChIKey of N-[1-(1-methyltetrazol-5-yl)ethyl]-1-phenyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide?
The InChIKey is PGASBUCUSSSUMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N8O/c1-11(15-19-20-21-22(15)2)18-16(25)23-9-12-8-17-24(14(12)10-23)13-6-4-3-5-7-13/h3-8,11H,9-10H2,1-2H3,(H,18,25).
What are the key properties of N-[1-(1-methyltetrazol-5-yl)ethyl]-1-phenyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide?
N-[1-(1-methyltetrazol-5-yl)ethyl]-1-phenyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide has a molecular weight of 338.38 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-methyltetrazol-5-yl)ethyl]-1-phenyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide is sourced from PubChem (CID 138049856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).