2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide

C25H26N4O — CID 99755071

IUPAC2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide
SMILESCc1nn(-c2ccccc2)c(C)c1CC(=O)N[C@@H]1CCCc2c1[nH]c1ccccc21
InChIInChI=1S/C25H26N4O/c1-16-21(17(2)29(28-16)18-9-4-3-5-10-18)15-24(30)26-23-14-8-12-20-19-11-6-7-13-22(19)27-25(20)23/h3-7,9-11,13,23,27H,8,12,14-15H2,1-2H3,(H,26,30)/t23-/m1/s1
InChIKeyKJBXLBDSFWUAHB-HSZRJFAPSA-N
MW398.51 g/mol
LogP4.71
Rot. Bonds4

About 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide

2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide (PubChem CID 99755071) has the molecular formula C25H26N4O and a molecular weight of 398.51 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide
PubChem CID99755071
Molecular FormulaC25H26N4O
Molecular Weight398.51 g/mol
Exact Mass398.21
IUPAC Name2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide
SMILESCc1nn(-c2ccccc2)c(C)c1CC(=O)N[C@@H]1CCCc2c1[nH]c1ccccc21
InChIInChI=1S/C25H26N4O/c1-16-21(17(2)29(28-16)18-9-4-3-5-10-18)15-24(30)26-23-14-8-12-20-19-11-6-7-13-22(19)27-25(20)23/h3-7,9-11,13,23,27H,8,12,14-15H2,1-2H3,(H,26,30)/t23-/m1/s1
InChIKeyKJBXLBDSFWUAHB-HSZRJFAPSA-N
XLogP4.71
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N-(2,3-dihydro-1H-inden-1-yl)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 18103852
2-methoxy-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide
CID 124604925
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 9272967
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 39967848
N-[(1S)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]cyclopropanecarboxamide
CID 124879022
N'-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]cyclohexanecarbohydrazide
CID 9327240
N-[(1S)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-2-phenylacetamide
CID 97487908
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1S)-6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide
CID 97425995
methyl 2-(2,3,4,9-tetrahydro-1H-carbazol-1-ylamino)acetate
CID 65333695
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 34052086
N-[2-oxo-2-(2,3,4,9-tetrahydro-1H-carbazol-1-ylamino)ethyl]pyrazine-2-carboxamide
CID 75489434
N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-2-(3,5,9-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetamide
CID 97488960

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide?
The IUPAC name of 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide (CID 99755071) is 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide?
The canonical SMILES for 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide is Cc1nn(-c2ccccc2)c(C)c1CC(=O)N[C@@H]1CCCc2c1[nH]c1ccccc21.
What is the InChIKey of 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide?
The InChIKey is KJBXLBDSFWUAHB-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H26N4O/c1-16-21(17(2)29(28-16)18-9-4-3-5-10-18)15-24(30)26-23-14-8-12-20-19-11-6-7-13-22(19)27-25(20)23/h3-7,9-11,13,23,27H,8,12,14-15H2,1-2H3,(H,26,30)/t23-/m1/s1.
What are the key properties of 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide?
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide has a molecular weight of 398.51 g/mol, XLogP of 4.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide is sourced from PubChem (CID 99755071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).