N-[2-(methylamino)propyl]-1H-indazole-7-carboxamide;hydrochloride

C12H17ClN4O — CID 120826936

IUPACN-[2-(methylamino)propyl]-1H-indazole-7-carboxamide;hydrochloride
SMILESCNC(C)CNC(=O)c1cccc2cn[nH]c12.Cl
InChIInChI=1S/C12H16N4O.ClH/c1-8(13-2)6-14-12(17)10-5-3-4-9-7-15-16-11(9)10;/h3-5,7-8,13H,6H2,1-2H3,(H,14,17)(H,15,16);1H
InChIKeyMXBWULTZULADSD-UHFFFAOYSA-N
MW268.75 g/mol
LogP1.32
Rot. Bonds4

About N-[2-(methylamino)propyl]-1H-indazole-7-carboxamide;hydrochloride

N-[2-(methylamino)propyl]-1H-indazole-7-carboxamide;hydrochloride (PubChem CID 120826936) has the molecular formula C12H17ClN4O and a molecular weight of 268.75 g/mol. Its IUPAC name is N-[2-(methylamino)propyl]-1H-indazole-7-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(methylamino)propyl]-1H-indazole-7-carboxamide;hydrochloride
PubChem CID120826936
Molecular FormulaC12H17ClN4O
Molecular Weight268.75 g/mol
Exact Mass268.11
IUPAC NameN-[2-(methylamino)propyl]-1H-indazole-7-carboxamide;hydrochloride
SMILESCNC(C)CNC(=O)c1cccc2cn[nH]c12.Cl
InChIInChI=1S/C12H16N4O.ClH/c1-8(13-2)6-14-12(17)10-5-3-4-9-7-15-16-11(9)10;/h3-5,7-8,13H,6H2,1-2H3,(H,14,17)(H,15,16);1H
InChIKeyMXBWULTZULADSD-UHFFFAOYSA-N
XLogP1.32
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.75
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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propan-2-yl 3-(1H-indazole-7-carbonylamino)propanoate
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N-[2-(4-chlorophenyl)-2-hydroxyethyl]-1H-indazole-7-carboxamide
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N-[2-(methylamino)propyl]quinoline-8-carboxamide;dihydrochloride
CID 120829987
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-1H-indazole-7-carboxamide
CID 47024547
N-(2-hydroxy-2-propylpentyl)-1H-indazole-7-carboxamide
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N-[(2S)-3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]-1H-indazole-7-carboxamide
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N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-1H-indazole-7-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-(methylamino)propyl]-1H-indazole-7-carboxamide;hydrochloride?
The IUPAC name of N-[2-(methylamino)propyl]-1H-indazole-7-carboxamide;hydrochloride (CID 120826936) is N-[2-(methylamino)propyl]-1H-indazole-7-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(methylamino)propyl]-1H-indazole-7-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(methylamino)propyl]-1H-indazole-7-carboxamide;hydrochloride is CNC(C)CNC(=O)c1cccc2cn[nH]c12.Cl.
What is the InChIKey of N-[2-(methylamino)propyl]-1H-indazole-7-carboxamide;hydrochloride?
The InChIKey is MXBWULTZULADSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O.ClH/c1-8(13-2)6-14-12(17)10-5-3-4-9-7-15-16-11(9)10;/h3-5,7-8,13H,6H2,1-2H3,(H,14,17)(H,15,16);1H.
What are the key properties of N-[2-(methylamino)propyl]-1H-indazole-7-carboxamide;hydrochloride?
N-[2-(methylamino)propyl]-1H-indazole-7-carboxamide;hydrochloride has a molecular weight of 268.75 g/mol, XLogP of 1.32, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylamino)propyl]-1H-indazole-7-carboxamide;hydrochloride is sourced from PubChem (CID 120826936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).