N-[(1S)-3-[5-[4-(1H-indazol-4-yl)phenyl]pyrazol-1-yl]cyclopentyl]propanamide

C24H25N5O — CID 144782204

IUPACN-[(1S)-3-[5-[4-(1H-indazol-4-yl)phenyl]pyrazol-1-yl]cyclopentyl]propanamide
SMILESCCC(=O)N[C@H]1CCC(n2nccc2-c2ccc(-c3cccc4[nH]ncc34)cc2)C1
InChIInChI=1S/C24H25N5O/c1-2-24(30)27-18-10-11-19(14-18)29-23(12-13-26-29)17-8-6-16(7-9-17)20-4-3-5-22-21(20)15-25-28-22/h3-9,12-13,15,18-19H,2,10-11,14H2,1H3,(H,25,28)(H,27,30)/t18-,19?/m0/s1
InChIKeyKFCIGKBXCUGIDC-OYKVQYDMSA-N
MW399.50 g/mol
LogP4.71
Rot. Bonds5

About N-[(1S)-3-[5-[4-(1H-indazol-4-yl)phenyl]pyrazol-1-yl]cyclopentyl]propanamide

N-[(1S)-3-[5-[4-(1H-indazol-4-yl)phenyl]pyrazol-1-yl]cyclopentyl]propanamide (PubChem CID 144782204) has the molecular formula C24H25N5O and a molecular weight of 399.50 g/mol. Its IUPAC name is N-[(1S)-3-[5-[4-(1H-indazol-4-yl)phenyl]pyrazol-1-yl]cyclopentyl]propanamide.

Molecular Properties

Compound NameN-[(1S)-3-[5-[4-(1H-indazol-4-yl)phenyl]pyrazol-1-yl]cyclopentyl]propanamide
PubChem CID144782204
Molecular FormulaC24H25N5O
Molecular Weight399.50 g/mol
Exact Mass399.21
IUPAC NameN-[(1S)-3-[5-[4-(1H-indazol-4-yl)phenyl]pyrazol-1-yl]cyclopentyl]propanamide
SMILESCCC(=O)N[C@H]1CCC(n2nccc2-c2ccc(-c3cccc4[nH]ncc34)cc2)C1
InChIInChI=1S/C24H25N5O/c1-2-24(30)27-18-10-11-19(14-18)29-23(12-13-26-29)17-8-6-16(7-9-17)20-4-3-5-22-21(20)15-25-28-22/h3-9,12-13,15,18-19H,2,10-11,14H2,1H3,(H,25,28)(H,27,30)/t18-,19?/m0/s1
InChIKeyKFCIGKBXCUGIDC-OYKVQYDMSA-N
XLogP4.71
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(1S)-3-[5-[4-(1H-indazol-4-yl)phenyl]pyrazol-1-yl]cyclopentyl]propanamide 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 N-[(1S)-3-[5-[4-(1H-indazol-4-yl)phenyl]pyrazol-1-yl]cyclopentyl]propanamide?
The IUPAC name of N-[(1S)-3-[5-[4-(1H-indazol-4-yl)phenyl]pyrazol-1-yl]cyclopentyl]propanamide (CID 144782204) is N-[(1S)-3-[5-[4-(1H-indazol-4-yl)phenyl]pyrazol-1-yl]cyclopentyl]propanamide.
What is the SMILES notation for N-[(1S)-3-[5-[4-(1H-indazol-4-yl)phenyl]pyrazol-1-yl]cyclopentyl]propanamide?
The canonical SMILES for N-[(1S)-3-[5-[4-(1H-indazol-4-yl)phenyl]pyrazol-1-yl]cyclopentyl]propanamide is CCC(=O)N[C@H]1CCC(n2nccc2-c2ccc(-c3cccc4[nH]ncc34)cc2)C1.
What is the InChIKey of N-[(1S)-3-[5-[4-(1H-indazol-4-yl)phenyl]pyrazol-1-yl]cyclopentyl]propanamide?
The InChIKey is KFCIGKBXCUGIDC-OYKVQYDMSA-N. The full InChI is InChI=1S/C24H25N5O/c1-2-24(30)27-18-10-11-19(14-18)29-23(12-13-26-29)17-8-6-16(7-9-17)20-4-3-5-22-21(20)15-25-28-22/h3-9,12-13,15,18-19H,2,10-11,14H2,1H3,(H,25,28)(H,27,30)/t18-,19?/m0/s1.
What are the key properties of N-[(1S)-3-[5-[4-(1H-indazol-4-yl)phenyl]pyrazol-1-yl]cyclopentyl]propanamide?
N-[(1S)-3-[5-[4-(1H-indazol-4-yl)phenyl]pyrazol-1-yl]cyclopentyl]propanamide has a molecular weight of 399.50 g/mol, XLogP of 4.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-3-[5-[4-(1H-indazol-4-yl)phenyl]pyrazol-1-yl]cyclopentyl]propanamide is sourced from PubChem (CID 144782204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).