4-[[4-[(4-chloropyrazol-1-yl)methyl]benzoyl]amino]-N-cyclopentyl-1-ethylpyrazole-3-carboxamide

C22H25ClN6O2 — CID 19584949

IUPAC4-[[4-[(4-chloropyrazol-1-yl)methyl]benzoyl]amino]-N-cyclopentyl-1-ethylpyrazole-3-carboxamide
SMILESCCn1cc(NC(=O)c2ccc(Cn3cc(Cl)cn3)cc2)c(C(=O)NC2CCCC2)n1
InChIInChI=1S/C22H25ClN6O2/c1-2-28-14-19(20(27-28)22(31)25-18-5-3-4-6-18)26-21(30)16-9-7-15(8-10-16)12-29-13-17(23)11-24-29/h7-11,13-14,18H,2-6,12H2,1H3,(H,25,31)(H,26,30)
InChIKeyDVXOLXTXQSOMPC-UHFFFAOYSA-N
MW440.94 g/mol
LogP3.73
Rot. Bonds7

About 4-[[4-[(4-chloropyrazol-1-yl)methyl]benzoyl]amino]-N-cyclopentyl-1-ethylpyrazole-3-carboxamide

4-[[4-[(4-chloropyrazol-1-yl)methyl]benzoyl]amino]-N-cyclopentyl-1-ethylpyrazole-3-carboxamide (PubChem CID 19584949) has the molecular formula C22H25ClN6O2 and a molecular weight of 440.94 g/mol. Its IUPAC name is 4-[[4-[(4-chloropyrazol-1-yl)methyl]benzoyl]amino]-N-cyclopentyl-1-ethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-[[4-[(4-chloropyrazol-1-yl)methyl]benzoyl]amino]-N-cyclopentyl-1-ethylpyrazole-3-carboxamide
PubChem CID19584949
Molecular FormulaC22H25ClN6O2
Molecular Weight440.94 g/mol
Exact Mass440.17
IUPAC Name4-[[4-[(4-chloropyrazol-1-yl)methyl]benzoyl]amino]-N-cyclopentyl-1-ethylpyrazole-3-carboxamide
SMILESCCn1cc(NC(=O)c2ccc(Cn3cc(Cl)cn3)cc2)c(C(=O)NC2CCCC2)n1
InChIInChI=1S/C22H25ClN6O2/c1-2-28-14-19(20(27-28)22(31)25-18-5-3-4-6-18)26-21(30)16-9-7-15(8-10-16)12-29-13-17(23)11-24-29/h7-11,13-14,18H,2-6,12H2,1H3,(H,25,31)(H,26,30)
InChIKeyDVXOLXTXQSOMPC-UHFFFAOYSA-N
XLogP3.73
TPSA93.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.94
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[[4-[(4-chloropyrazol-1-yl)methyl]benzoyl]amino]-N-cyclopentyl-1-ethylpyrazole-3-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 4-[[4-[(4-chloropyrazol-1-yl)methyl]benzoyl]amino]-N-cyclopentyl-1-ethylpyrazole-3-carboxamide?
The IUPAC name of 4-[[4-[(4-chloropyrazol-1-yl)methyl]benzoyl]amino]-N-cyclopentyl-1-ethylpyrazole-3-carboxamide (CID 19584949) is 4-[[4-[(4-chloropyrazol-1-yl)methyl]benzoyl]amino]-N-cyclopentyl-1-ethylpyrazole-3-carboxamide.
What is the SMILES notation for 4-[[4-[(4-chloropyrazol-1-yl)methyl]benzoyl]amino]-N-cyclopentyl-1-ethylpyrazole-3-carboxamide?
The canonical SMILES for 4-[[4-[(4-chloropyrazol-1-yl)methyl]benzoyl]amino]-N-cyclopentyl-1-ethylpyrazole-3-carboxamide is CCn1cc(NC(=O)c2ccc(Cn3cc(Cl)cn3)cc2)c(C(=O)NC2CCCC2)n1.
What is the InChIKey of 4-[[4-[(4-chloropyrazol-1-yl)methyl]benzoyl]amino]-N-cyclopentyl-1-ethylpyrazole-3-carboxamide?
The InChIKey is DVXOLXTXQSOMPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN6O2/c1-2-28-14-19(20(27-28)22(31)25-18-5-3-4-6-18)26-21(30)16-9-7-15(8-10-16)12-29-13-17(23)11-24-29/h7-11,13-14,18H,2-6,12H2,1H3,(H,25,31)(H,26,30).
What are the key properties of 4-[[4-[(4-chloropyrazol-1-yl)methyl]benzoyl]amino]-N-cyclopentyl-1-ethylpyrazole-3-carboxamide?
4-[[4-[(4-chloropyrazol-1-yl)methyl]benzoyl]amino]-N-cyclopentyl-1-ethylpyrazole-3-carboxamide has a molecular weight of 440.94 g/mol, XLogP of 3.73, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[(4-chloropyrazol-1-yl)methyl]benzoyl]amino]-N-cyclopentyl-1-ethylpyrazole-3-carboxamide is sourced from PubChem (CID 19584949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).