N-[2-(cycloheptylamino)ethyl]-1H-indazole-3-carboxamide;hydrochloride

C17H25ClN4O — CID 119621235

IUPACN-[2-(cycloheptylamino)ethyl]-1H-indazole-3-carboxamide;hydrochloride
SMILESCl.O=C(NCCNC1CCCCCC1)c1n[nH]c2ccccc12
InChIInChI=1S/C17H24N4O.ClH/c22-17(16-14-9-5-6-10-15(14)20-21-16)19-12-11-18-13-7-3-1-2-4-8-13;/h5-6,9-10,13,18H,1-4,7-8,11-12H2,(H,19,22)(H,20,21);1H
InChIKeyNPRANNNERDLWOC-UHFFFAOYSA-N
MW336.87 g/mol
LogP3.03
Rot. Bonds5

About N-[2-(cycloheptylamino)ethyl]-1H-indazole-3-carboxamide;hydrochloride

N-[2-(cycloheptylamino)ethyl]-1H-indazole-3-carboxamide;hydrochloride (PubChem CID 119621235) has the molecular formula C17H25ClN4O and a molecular weight of 336.87 g/mol. Its IUPAC name is N-[2-(cycloheptylamino)ethyl]-1H-indazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(cycloheptylamino)ethyl]-1H-indazole-3-carboxamide;hydrochloride
PubChem CID119621235
Molecular FormulaC17H25ClN4O
Molecular Weight336.87 g/mol
Exact Mass336.17
IUPAC NameN-[2-(cycloheptylamino)ethyl]-1H-indazole-3-carboxamide;hydrochloride
SMILESCl.O=C(NCCNC1CCCCCC1)c1n[nH]c2ccccc12
InChIInChI=1S/C17H24N4O.ClH/c22-17(16-14-9-5-6-10-15(14)20-21-16)19-12-11-18-13-7-3-1-2-4-8-13;/h5-6,9-10,13,18H,1-4,7-8,11-12H2,(H,19,22)(H,20,21);1H
InChIKeyNPRANNNERDLWOC-UHFFFAOYSA-N
XLogP3.03
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.87
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(cyclopropylamino)propyl]-1H-indazole-3-carboxamide
CID 43596560
N-(2-cyclopentylethyl)-1H-indazole-3-carboxamide
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N-[3-(4-cyclopentyloxypiperidin-1-yl)-3-oxopropyl]-1H-indazole-3-carboxamide
CID 99434082
N-(2-amino-1-cyclohexylethyl)-1H-indazole-3-carboxamide;hydrochloride
CID 119591831
N'-(cyclohexanecarbonyl)-1H-indazole-3-carbohydrazide
CID 4787464
N-(3-amino-3-oxopropyl)-1H-indazole-3-carboxamide
CID 63081541
N-[3-oxo-3-(pyrrolidin-3-ylamino)propyl]-1H-indazole-3-carboxamide;hydrochloride
CID 119452366
N-[2-(2-ethylpiperidin-1-yl)ethyl]-1H-indazole-3-carboxamide
CID 154737859
N-[2-[(2-piperidin-4-ylacetyl)amino]ethyl]-1H-indazole-3-carboxamide
CID 170858443
N-[2-(4-methylcyclohexyl)ethyl]-1H-indazole-3-carboxamide
CID 64982746
N-(2-amino-1-cyclopentylethyl)-1H-indazole-3-carboxamide
CID 106737709
N-(oxan-3-yl)-1H-indazole-3-carboxamide
CID 63611564

Frequently Asked Questions

What is the IUPAC name of N-[2-(cycloheptylamino)ethyl]-1H-indazole-3-carboxamide;hydrochloride?
The IUPAC name of N-[2-(cycloheptylamino)ethyl]-1H-indazole-3-carboxamide;hydrochloride (CID 119621235) is N-[2-(cycloheptylamino)ethyl]-1H-indazole-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(cycloheptylamino)ethyl]-1H-indazole-3-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(cycloheptylamino)ethyl]-1H-indazole-3-carboxamide;hydrochloride is Cl.O=C(NCCNC1CCCCCC1)c1n[nH]c2ccccc12.
What is the InChIKey of N-[2-(cycloheptylamino)ethyl]-1H-indazole-3-carboxamide;hydrochloride?
The InChIKey is NPRANNNERDLWOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O.ClH/c22-17(16-14-9-5-6-10-15(14)20-21-16)19-12-11-18-13-7-3-1-2-4-8-13;/h5-6,9-10,13,18H,1-4,7-8,11-12H2,(H,19,22)(H,20,21);1H.
What are the key properties of N-[2-(cycloheptylamino)ethyl]-1H-indazole-3-carboxamide;hydrochloride?
N-[2-(cycloheptylamino)ethyl]-1H-indazole-3-carboxamide;hydrochloride has a molecular weight of 336.87 g/mol, XLogP of 3.03, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cycloheptylamino)ethyl]-1H-indazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 119621235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).