6-chloro-N-[1-(4-methylcyclohexyl)propan-2-yl]-1H-indazole-3-carboxamide

C18H24ClN3O — CID 129127696

IUPAC6-chloro-N-[1-(4-methylcyclohexyl)propan-2-yl]-1H-indazole-3-carboxamide
SMILESCC1CCC(CC(C)NC(=O)c2n[nH]c3cc(Cl)ccc23)CC1
InChIInChI=1S/C18H24ClN3O/c1-11-3-5-13(6-4-11)9-12(2)20-18(23)17-15-8-7-14(19)10-16(15)21-22-17/h7-8,10-13H,3-6,9H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyMWWIYZNZSCGSQJ-UHFFFAOYSA-N
MW333.86 g/mol
LogP4.55
Rot. Bonds4

About 6-chloro-N-[1-(4-methylcyclohexyl)propan-2-yl]-1H-indazole-3-carboxamide

6-chloro-N-[1-(4-methylcyclohexyl)propan-2-yl]-1H-indazole-3-carboxamide (PubChem CID 129127696) has the molecular formula C18H24ClN3O and a molecular weight of 333.86 g/mol. Its IUPAC name is 6-chloro-N-[1-(4-methylcyclohexyl)propan-2-yl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[1-(4-methylcyclohexyl)propan-2-yl]-1H-indazole-3-carboxamide
PubChem CID129127696
Molecular FormulaC18H24ClN3O
Molecular Weight333.86 g/mol
Exact Mass333.16
IUPAC Name6-chloro-N-[1-(4-methylcyclohexyl)propan-2-yl]-1H-indazole-3-carboxamide
SMILESCC1CCC(CC(C)NC(=O)c2n[nH]c3cc(Cl)ccc23)CC1
InChIInChI=1S/C18H24ClN3O/c1-11-3-5-13(6-4-11)9-12(2)20-18(23)17-15-8-7-14(19)10-16(15)21-22-17/h7-8,10-13H,3-6,9H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyMWWIYZNZSCGSQJ-UHFFFAOYSA-N
XLogP4.55
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.86
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 6-chloro-N-[1-(4-methylcyclohexyl)propan-2-yl]-1H-indazole-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 6-chloro-N-[1-(4-methylcyclohexyl)propan-2-yl]-1H-indazole-3-carboxamide?
The IUPAC name of 6-chloro-N-[1-(4-methylcyclohexyl)propan-2-yl]-1H-indazole-3-carboxamide (CID 129127696) is 6-chloro-N-[1-(4-methylcyclohexyl)propan-2-yl]-1H-indazole-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[1-(4-methylcyclohexyl)propan-2-yl]-1H-indazole-3-carboxamide?
The canonical SMILES for 6-chloro-N-[1-(4-methylcyclohexyl)propan-2-yl]-1H-indazole-3-carboxamide is CC1CCC(CC(C)NC(=O)c2n[nH]c3cc(Cl)ccc23)CC1.
What is the InChIKey of 6-chloro-N-[1-(4-methylcyclohexyl)propan-2-yl]-1H-indazole-3-carboxamide?
The InChIKey is MWWIYZNZSCGSQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN3O/c1-11-3-5-13(6-4-11)9-12(2)20-18(23)17-15-8-7-14(19)10-16(15)21-22-17/h7-8,10-13H,3-6,9H2,1-2H3,(H,20,23)(H,21,22).
What are the key properties of 6-chloro-N-[1-(4-methylcyclohexyl)propan-2-yl]-1H-indazole-3-carboxamide?
6-chloro-N-[1-(4-methylcyclohexyl)propan-2-yl]-1H-indazole-3-carboxamide has a molecular weight of 333.86 g/mol, XLogP of 4.55, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[1-(4-methylcyclohexyl)propan-2-yl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 129127696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).