N-[[2-(chloromethyl)cyclopentyl]methyl]-1-methylindazole-3-carboxamide

C16H20ClN3O — CID 103122653

IUPACN-[[2-(chloromethyl)cyclopentyl]methyl]-1-methylindazole-3-carboxamide
SMILESCn1nc(C(=O)NCC2CCCC2CCl)c2ccccc21
InChIInChI=1S/C16H20ClN3O/c1-20-14-8-3-2-7-13(14)15(19-20)16(21)18-10-12-6-4-5-11(12)9-17/h2-3,7-8,11-12H,4-6,9-10H2,1H3,(H,18,21)
InChIKeyNTEJWNUJKIDQCD-UHFFFAOYSA-N
MW305.81 g/mol
LogP2.96
Rot. Bonds4

About N-[[2-(chloromethyl)cyclopentyl]methyl]-1-methylindazole-3-carboxamide

N-[[2-(chloromethyl)cyclopentyl]methyl]-1-methylindazole-3-carboxamide (PubChem CID 103122653) has the molecular formula C16H20ClN3O and a molecular weight of 305.81 g/mol. Its IUPAC name is N-[[2-(chloromethyl)cyclopentyl]methyl]-1-methylindazole-3-carboxamide.

Molecular Properties

Compound NameN-[[2-(chloromethyl)cyclopentyl]methyl]-1-methylindazole-3-carboxamide
PubChem CID103122653
Molecular FormulaC16H20ClN3O
Molecular Weight305.81 g/mol
Exact Mass305.13
IUPAC NameN-[[2-(chloromethyl)cyclopentyl]methyl]-1-methylindazole-3-carboxamide
SMILESCn1nc(C(=O)NCC2CCCC2CCl)c2ccccc21
InChIInChI=1S/C16H20ClN3O/c1-20-14-8-3-2-7-13(14)15(19-20)16(21)18-10-12-6-4-5-11(12)9-17/h2-3,7-8,11-12H,4-6,9-10H2,1H3,(H,18,21)
InChIKeyNTEJWNUJKIDQCD-UHFFFAOYSA-N
XLogP2.96
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 52.96
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

N-[(4-chlorocyclohexyl)methyl]-1-methylindazole-3-carboxamide
CID 106133570
N-(2-chloroethyl)-1-methylindazole-3-carboxamide
CID 103119713
N-[[2-(chloromethyl)cyclopentyl]methyl]-1-methylpyrazole-3-carboxamide
CID 103122655
N-(3-chloro-2,2-dimethylpropyl)-1-methylindazole-3-carboxamide
CID 103122780
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
N-[[2-(chloromethyl)cyclopentyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 103122654
cyclobutyl-(1-methylindazol-3-yl)methanone
CID 103125487
N-[(1R,2R)-2-hydroxycyclohexyl]-1-methylindazole-3-carboxamide
CID 103120378
N-(2-hydroxycyclohexyl)-1-methylindazole-3-carboxamide
CID 103120150
1-methyl-N-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]indazole-3-carboxamide
CID 126916675
1-methyl-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]indazole-3-carboxamide;hydrochloride
CID 71462661

Frequently Asked Questions

What is the IUPAC name of N-[[2-(chloromethyl)cyclopentyl]methyl]-1-methylindazole-3-carboxamide?
The IUPAC name of N-[[2-(chloromethyl)cyclopentyl]methyl]-1-methylindazole-3-carboxamide (CID 103122653) is N-[[2-(chloromethyl)cyclopentyl]methyl]-1-methylindazole-3-carboxamide.
What is the SMILES notation for N-[[2-(chloromethyl)cyclopentyl]methyl]-1-methylindazole-3-carboxamide?
The canonical SMILES for N-[[2-(chloromethyl)cyclopentyl]methyl]-1-methylindazole-3-carboxamide is Cn1nc(C(=O)NCC2CCCC2CCl)c2ccccc21.
What is the InChIKey of N-[[2-(chloromethyl)cyclopentyl]methyl]-1-methylindazole-3-carboxamide?
The InChIKey is NTEJWNUJKIDQCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O/c1-20-14-8-3-2-7-13(14)15(19-20)16(21)18-10-12-6-4-5-11(12)9-17/h2-3,7-8,11-12H,4-6,9-10H2,1H3,(H,18,21).
What are the key properties of N-[[2-(chloromethyl)cyclopentyl]methyl]-1-methylindazole-3-carboxamide?
N-[[2-(chloromethyl)cyclopentyl]methyl]-1-methylindazole-3-carboxamide has a molecular weight of 305.81 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(chloromethyl)cyclopentyl]methyl]-1-methylindazole-3-carboxamide is sourced from PubChem (CID 103122653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).