N-[(4-chlorocyclohexyl)methyl]-1-methylindazole-3-carboxamide

C16H20ClN3O — CID 106133570

IUPACN-[(4-chlorocyclohexyl)methyl]-1-methylindazole-3-carboxamide
SMILESCn1nc(C(=O)NCC2CCC(Cl)CC2)c2ccccc21
InChIInChI=1S/C16H20ClN3O/c1-20-14-5-3-2-4-13(14)15(19-20)16(21)18-10-11-6-8-12(17)9-7-11/h2-5,11-12H,6-10H2,1H3,(H,18,21)
InChIKeyUBRRVPNUQMMKBK-UHFFFAOYSA-N
MW305.81 g/mol
LogP3.10
Rot. Bonds3

About N-[(4-chlorocyclohexyl)methyl]-1-methylindazole-3-carboxamide

N-[(4-chlorocyclohexyl)methyl]-1-methylindazole-3-carboxamide (PubChem CID 106133570) has the molecular formula C16H20ClN3O and a molecular weight of 305.81 g/mol. Its IUPAC name is N-[(4-chlorocyclohexyl)methyl]-1-methylindazole-3-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorocyclohexyl)methyl]-1-methylindazole-3-carboxamide
PubChem CID106133570
Molecular FormulaC16H20ClN3O
Molecular Weight305.81 g/mol
Exact Mass305.13
IUPAC NameN-[(4-chlorocyclohexyl)methyl]-1-methylindazole-3-carboxamide
SMILESCn1nc(C(=O)NCC2CCC(Cl)CC2)c2ccccc21
InChIInChI=1S/C16H20ClN3O/c1-20-14-5-3-2-4-13(14)15(19-20)16(21)18-10-11-6-8-12(17)9-7-11/h2-5,11-12H,6-10H2,1H3,(H,18,21)
InChIKeyUBRRVPNUQMMKBK-UHFFFAOYSA-N
XLogP3.10
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-methyl-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]indazole-3-carboxamide;hydrochloride
CID 71462661
N-[[2-(chloromethyl)cyclopentyl]methyl]-1-methylindazole-3-carboxamide
CID 103122653
N-(2-chloroethyl)-1-methylindazole-3-carboxamide
CID 103119713
1-methyl-N-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]indazole-3-carboxamide
CID 126916675
N-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-1-methylindazole-3-carboxamide
CID 126917005
N-(2-chloropropyl)-1-methylindazole-3-carboxamide
CID 103122559
(4-ethylcyclohexyl)-(1-methylindazol-3-yl)methanone
CID 103124705
N-[(2-chlorophenyl)methyl]-1-methylindazole-3-carboxamide
CID 71822183
3-cyclopropyl-1-(1-methylindazol-3-yl)propan-1-one
CID 103124770
1-cyclopropyl-3-(1-methylindazol-3-yl)propane-1,3-dione
CID 103119190
N-(3-methoxypropyl)-1-methylindazole-3-carboxamide
CID 166081516
methyl 3-[(1-methylindazole-3-carbonyl)amino]propanoate
CID 103121172

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorocyclohexyl)methyl]-1-methylindazole-3-carboxamide?
The IUPAC name of N-[(4-chlorocyclohexyl)methyl]-1-methylindazole-3-carboxamide (CID 106133570) is N-[(4-chlorocyclohexyl)methyl]-1-methylindazole-3-carboxamide.
What is the SMILES notation for N-[(4-chlorocyclohexyl)methyl]-1-methylindazole-3-carboxamide?
The canonical SMILES for N-[(4-chlorocyclohexyl)methyl]-1-methylindazole-3-carboxamide is Cn1nc(C(=O)NCC2CCC(Cl)CC2)c2ccccc21.
What is the InChIKey of N-[(4-chlorocyclohexyl)methyl]-1-methylindazole-3-carboxamide?
The InChIKey is UBRRVPNUQMMKBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O/c1-20-14-5-3-2-4-13(14)15(19-20)16(21)18-10-11-6-8-12(17)9-7-11/h2-5,11-12H,6-10H2,1H3,(H,18,21).
What are the key properties of N-[(4-chlorocyclohexyl)methyl]-1-methylindazole-3-carboxamide?
N-[(4-chlorocyclohexyl)methyl]-1-methylindazole-3-carboxamide has a molecular weight of 305.81 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorocyclohexyl)methyl]-1-methylindazole-3-carboxamide is sourced from PubChem (CID 106133570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).