5-cyclopropyl-N-[(1R,2R)-2-(dimethylamino)cyclopentyl]-1-propan-2-ylpyrazole-4-carboxamide

C17H28N4O — CID 138035097

IUPAC5-cyclopropyl-N-[(1R,2R)-2-(dimethylamino)cyclopentyl]-1-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C)n1ncc(C(=O)N[C@@H]2CCC[C@H]2N(C)C)c1C1CC1
InChIInChI=1S/C17H28N4O/c1-11(2)21-16(12-8-9-12)13(10-18-21)17(22)19-14-6-5-7-15(14)20(3)4/h10-12,14-15H,5-9H2,1-4H3,(H,19,22)/t14-,15-/m1/s1
InChIKeyPSZUDBUQIHSDAC-HUUCEWRRSA-N
MW304.44 g/mol
LogP2.55
Rot. Bonds5

About 5-cyclopropyl-N-[(1R,2R)-2-(dimethylamino)cyclopentyl]-1-propan-2-ylpyrazole-4-carboxamide

5-cyclopropyl-N-[(1R,2R)-2-(dimethylamino)cyclopentyl]-1-propan-2-ylpyrazole-4-carboxamide (PubChem CID 138035097) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is 5-cyclopropyl-N-[(1R,2R)-2-(dimethylamino)cyclopentyl]-1-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[(1R,2R)-2-(dimethylamino)cyclopentyl]-1-propan-2-ylpyrazole-4-carboxamide
PubChem CID138035097
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC Name5-cyclopropyl-N-[(1R,2R)-2-(dimethylamino)cyclopentyl]-1-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C)n1ncc(C(=O)N[C@@H]2CCC[C@H]2N(C)C)c1C1CC1
InChIInChI=1S/C17H28N4O/c1-11(2)21-16(12-8-9-12)13(10-18-21)17(22)19-14-6-5-7-15(14)20(3)4/h10-12,14-15H,5-9H2,1-4H3,(H,19,22)/t14-,15-/m1/s1
InChIKeyPSZUDBUQIHSDAC-HUUCEWRRSA-N
XLogP2.55
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-cyclopropyl-N-[(1R,2R)-2-(dimethylamino)cyclopentyl]-1-propan-2-ylpyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[(1R,2R)-2-(dimethylamino)cyclopentyl]-1-propan-2-ylpyrazole-4-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[(1R,2R)-2-(dimethylamino)cyclopentyl]-1-propan-2-ylpyrazole-4-carboxamide (CID 138035097) is 5-cyclopropyl-N-[(1R,2R)-2-(dimethylamino)cyclopentyl]-1-propan-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[(1R,2R)-2-(dimethylamino)cyclopentyl]-1-propan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[(1R,2R)-2-(dimethylamino)cyclopentyl]-1-propan-2-ylpyrazole-4-carboxamide is CC(C)n1ncc(C(=O)N[C@@H]2CCC[C@H]2N(C)C)c1C1CC1.
What is the InChIKey of 5-cyclopropyl-N-[(1R,2R)-2-(dimethylamino)cyclopentyl]-1-propan-2-ylpyrazole-4-carboxamide?
The InChIKey is PSZUDBUQIHSDAC-HUUCEWRRSA-N. The full InChI is InChI=1S/C17H28N4O/c1-11(2)21-16(12-8-9-12)13(10-18-21)17(22)19-14-6-5-7-15(14)20(3)4/h10-12,14-15H,5-9H2,1-4H3,(H,19,22)/t14-,15-/m1/s1.
What are the key properties of 5-cyclopropyl-N-[(1R,2R)-2-(dimethylamino)cyclopentyl]-1-propan-2-ylpyrazole-4-carboxamide?
5-cyclopropyl-N-[(1R,2R)-2-(dimethylamino)cyclopentyl]-1-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 304.44 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[(1R,2R)-2-(dimethylamino)cyclopentyl]-1-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 138035097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).