3-amino-N-[(1-pyrrolidin-1-ylcyclohexyl)methyl]-1H-pyrazole-5-carboxamide

C15H25N5O — CID 91771328

IUPAC3-amino-N-[(1-pyrrolidin-1-ylcyclohexyl)methyl]-1H-pyrazole-5-carboxamide
SMILESNc1cc(C(=O)NCC2(N3CCCC3)CCCCC2)[nH]n1
InChIInChI=1S/C15H25N5O/c16-13-10-12(18-19-13)14(21)17-11-15(6-2-1-3-7-15)20-8-4-5-9-20/h10H,1-9,11H2,(H,17,21)(H3,16,18,19)
InChIKeyDCWVPQSIBQZLPI-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.52
Rot. Bonds4

About 3-amino-N-[(1-pyrrolidin-1-ylcyclohexyl)methyl]-1H-pyrazole-5-carboxamide

3-amino-N-[(1-pyrrolidin-1-ylcyclohexyl)methyl]-1H-pyrazole-5-carboxamide (PubChem CID 91771328) has the molecular formula C15H25N5O and a molecular weight of 291.40 g/mol. Its IUPAC name is 3-amino-N-[(1-pyrrolidin-1-ylcyclohexyl)methyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(1-pyrrolidin-1-ylcyclohexyl)methyl]-1H-pyrazole-5-carboxamide
PubChem CID91771328
Molecular FormulaC15H25N5O
Molecular Weight291.40 g/mol
Exact Mass291.21
IUPAC Name3-amino-N-[(1-pyrrolidin-1-ylcyclohexyl)methyl]-1H-pyrazole-5-carboxamide
SMILESNc1cc(C(=O)NCC2(N3CCCC3)CCCCC2)[nH]n1
InChIInChI=1S/C15H25N5O/c16-13-10-12(18-19-13)14(21)17-11-15(6-2-1-3-7-15)20-8-4-5-9-20/h10H,1-9,11H2,(H,17,21)(H3,16,18,19)
InChIKeyDCWVPQSIBQZLPI-UHFFFAOYSA-N
XLogP1.52
TPSA87.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-amino-N-[(1-pyrrolidin-1-ylcyclohexyl)methyl]-1H-pyrazole-5-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 3-amino-N-[(1-pyrrolidin-1-ylcyclohexyl)methyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-amino-N-[(1-pyrrolidin-1-ylcyclohexyl)methyl]-1H-pyrazole-5-carboxamide (CID 91771328) is 3-amino-N-[(1-pyrrolidin-1-ylcyclohexyl)methyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-[(1-pyrrolidin-1-ylcyclohexyl)methyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-amino-N-[(1-pyrrolidin-1-ylcyclohexyl)methyl]-1H-pyrazole-5-carboxamide is Nc1cc(C(=O)NCC2(N3CCCC3)CCCCC2)[nH]n1.
What is the InChIKey of 3-amino-N-[(1-pyrrolidin-1-ylcyclohexyl)methyl]-1H-pyrazole-5-carboxamide?
The InChIKey is DCWVPQSIBQZLPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O/c16-13-10-12(18-19-13)14(21)17-11-15(6-2-1-3-7-15)20-8-4-5-9-20/h10H,1-9,11H2,(H,17,21)(H3,16,18,19).
What are the key properties of 3-amino-N-[(1-pyrrolidin-1-ylcyclohexyl)methyl]-1H-pyrazole-5-carboxamide?
3-amino-N-[(1-pyrrolidin-1-ylcyclohexyl)methyl]-1H-pyrazole-5-carboxamide has a molecular weight of 291.40 g/mol, XLogP of 1.52, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(1-pyrrolidin-1-ylcyclohexyl)methyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 91771328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).