1-ethyl-N-[(1R,2S,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclopentyl]-N,3-dimethylpyrazole-4-carboxamide

C17H28N4O2 — CID 110127419

IUPAC1-ethyl-N-[(1R,2S,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclopentyl]-N,3-dimethylpyrazole-4-carboxamide
SMILESCCn1cc(C(=O)N(C)[C@@H]2CC[C@@H](N3CCCC3)[C@@H]2O)c(C)n1
InChIInChI=1S/C17H28N4O2/c1-4-21-11-13(12(2)18-21)17(23)19(3)14-7-8-15(16(14)22)20-9-5-6-10-20/h11,14-16,22H,4-10H2,1-3H3/t14-,15-,16-/m1/s1
InChIKeyVONWGQPNLHCWSW-BZUAXINKSA-N
MW320.44 g/mol
LogP1.27
Rot. Bonds4

About 1-ethyl-N-[(1R,2S,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclopentyl]-N,3-dimethylpyrazole-4-carboxamide

1-ethyl-N-[(1R,2S,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclopentyl]-N,3-dimethylpyrazole-4-carboxamide (PubChem CID 110127419) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 1-ethyl-N-[(1R,2S,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclopentyl]-N,3-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[(1R,2S,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclopentyl]-N,3-dimethylpyrazole-4-carboxamide
PubChem CID110127419
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Name1-ethyl-N-[(1R,2S,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclopentyl]-N,3-dimethylpyrazole-4-carboxamide
SMILESCCn1cc(C(=O)N(C)[C@@H]2CC[C@@H](N3CCCC3)[C@@H]2O)c(C)n1
InChIInChI=1S/C17H28N4O2/c1-4-21-11-13(12(2)18-21)17(23)19(3)14-7-8-15(16(14)22)20-9-5-6-10-20/h11,14-16,22H,4-10H2,1-3H3/t14-,15-,16-/m1/s1
InChIKeyVONWGQPNLHCWSW-BZUAXINKSA-N
XLogP1.27
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-ethyl-N-[(1R,2S,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclopentyl]-N,3-dimethylpyrazole-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 1-ethyl-N-[(1R,2S,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclopentyl]-N,3-dimethylpyrazole-4-carboxamide?
The IUPAC name of 1-ethyl-N-[(1R,2S,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclopentyl]-N,3-dimethylpyrazole-4-carboxamide (CID 110127419) is 1-ethyl-N-[(1R,2S,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclopentyl]-N,3-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for 1-ethyl-N-[(1R,2S,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclopentyl]-N,3-dimethylpyrazole-4-carboxamide?
The canonical SMILES for 1-ethyl-N-[(1R,2S,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclopentyl]-N,3-dimethylpyrazole-4-carboxamide is CCn1cc(C(=O)N(C)[C@@H]2CC[C@@H](N3CCCC3)[C@@H]2O)c(C)n1.
What is the InChIKey of 1-ethyl-N-[(1R,2S,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclopentyl]-N,3-dimethylpyrazole-4-carboxamide?
The InChIKey is VONWGQPNLHCWSW-BZUAXINKSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-4-21-11-13(12(2)18-21)17(23)19(3)14-7-8-15(16(14)22)20-9-5-6-10-20/h11,14-16,22H,4-10H2,1-3H3/t14-,15-,16-/m1/s1.
What are the key properties of 1-ethyl-N-[(1R,2S,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclopentyl]-N,3-dimethylpyrazole-4-carboxamide?
1-ethyl-N-[(1R,2S,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclopentyl]-N,3-dimethylpyrazole-4-carboxamide has a molecular weight of 320.44 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[(1R,2S,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclopentyl]-N,3-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 110127419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).