N-(2-amino-1-cyclohexylethyl)-1H-indazole-3-carboxamide;hydrochloride

C16H23ClN4O — CID 119591831

IUPACN-(2-amino-1-cyclohexylethyl)-1H-indazole-3-carboxamide;hydrochloride
SMILESCl.NCC(NC(=O)c1n[nH]c2ccccc12)C1CCCCC1
InChIInChI=1S/C16H22N4O.ClH/c17-10-14(11-6-2-1-3-7-11)18-16(21)15-12-8-4-5-9-13(12)19-20-15;/h4-5,8-9,11,14H,1-3,6-7,10,17H2,(H,18,21)(H,19,20);1H
InChIKeyXWDIXJARQWFJKI-UHFFFAOYSA-N
MW322.84 g/mol
LogP2.62
Rot. Bonds4

About N-(2-amino-1-cyclohexylethyl)-1H-indazole-3-carboxamide;hydrochloride

N-(2-amino-1-cyclohexylethyl)-1H-indazole-3-carboxamide;hydrochloride (PubChem CID 119591831) has the molecular formula C16H23ClN4O and a molecular weight of 322.84 g/mol. Its IUPAC name is N-(2-amino-1-cyclohexylethyl)-1H-indazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclohexylethyl)-1H-indazole-3-carboxamide;hydrochloride
PubChem CID119591831
Molecular FormulaC16H23ClN4O
Molecular Weight322.84 g/mol
Exact Mass322.16
IUPAC NameN-(2-amino-1-cyclohexylethyl)-1H-indazole-3-carboxamide;hydrochloride
SMILESCl.NCC(NC(=O)c1n[nH]c2ccccc12)C1CCCCC1
InChIInChI=1S/C16H22N4O.ClH/c17-10-14(11-6-2-1-3-7-11)18-16(21)15-12-8-4-5-9-13(12)19-20-15;/h4-5,8-9,11,14H,1-3,6-7,10,17H2,(H,18,21)(H,19,20);1H
InChIKeyXWDIXJARQWFJKI-UHFFFAOYSA-N
XLogP2.62
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.84
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 119591824
N-(1-cyclobutylethyl)-1H-indazole-3-carboxamide
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N-[(1R)-2-amino-1-cyclopropylethyl]-5-methyl-1H-indazole-3-carboxamide
CID 124698938
N-[2-(cycloheptylamino)ethyl]-1H-indazole-3-carboxamide;hydrochloride
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N-[1-(cyclohexylmethylamino)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide
CID 170858431
N-[(1R,2R)-2-aminocyclohexyl]-1H-indazole-3-carboxamide
CID 93452695
N-(2-amino-1-cyclohexylethyl)-2-(2H-indazol-3-yl)acetamide
CID 119590893
N-(2-cyclopentylethyl)-1H-indazole-3-carboxamide
CID 60735601
N'-(cyclohexanecarbonyl)-1H-indazole-3-carbohydrazide
CID 4787464
N-(2-amino-1-cyclohexylethyl)-2-methylbenzamide;hydrochloride
CID 119588952
N-(2-amino-1-cyclohexylethyl)-2-chlorobenzamide
CID 81487183

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclohexylethyl)-1H-indazole-3-carboxamide;hydrochloride?
The IUPAC name of N-(2-amino-1-cyclohexylethyl)-1H-indazole-3-carboxamide;hydrochloride (CID 119591831) is N-(2-amino-1-cyclohexylethyl)-1H-indazole-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclohexylethyl)-1H-indazole-3-carboxamide;hydrochloride?
The canonical SMILES for N-(2-amino-1-cyclohexylethyl)-1H-indazole-3-carboxamide;hydrochloride is Cl.NCC(NC(=O)c1n[nH]c2ccccc12)C1CCCCC1.
What is the InChIKey of N-(2-amino-1-cyclohexylethyl)-1H-indazole-3-carboxamide;hydrochloride?
The InChIKey is XWDIXJARQWFJKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O.ClH/c17-10-14(11-6-2-1-3-7-11)18-16(21)15-12-8-4-5-9-13(12)19-20-15;/h4-5,8-9,11,14H,1-3,6-7,10,17H2,(H,18,21)(H,19,20);1H.
What are the key properties of N-(2-amino-1-cyclohexylethyl)-1H-indazole-3-carboxamide;hydrochloride?
N-(2-amino-1-cyclohexylethyl)-1H-indazole-3-carboxamide;hydrochloride has a molecular weight of 322.84 g/mol, XLogP of 2.62, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclohexylethyl)-1H-indazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 119591831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).