N-[2-(4-amino-2-chlorophenyl)-2-methylpropyl]-1H-indazole-3-carboxamide

C18H19ClN4O — CID 67545057

IUPACN-[2-(4-amino-2-chlorophenyl)-2-methylpropyl]-1H-indazole-3-carboxamide
SMILESCC(C)(CNC(=O)c1n[nH]c2ccccc12)c1ccc(N)cc1Cl
InChIInChI=1S/C18H19ClN4O/c1-18(2,13-8-7-11(20)9-14(13)19)10-21-17(24)16-12-5-3-4-6-15(12)22-23-16/h3-9H,10,20H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyQIJYBYFCTHCXEE-UHFFFAOYSA-N
MW342.83 g/mol
LogP3.51
Rot. Bonds4

About N-[2-(4-amino-2-chlorophenyl)-2-methylpropyl]-1H-indazole-3-carboxamide

N-[2-(4-amino-2-chlorophenyl)-2-methylpropyl]-1H-indazole-3-carboxamide (PubChem CID 67545057) has the molecular formula C18H19ClN4O and a molecular weight of 342.83 g/mol. Its IUPAC name is N-[2-(4-amino-2-chlorophenyl)-2-methylpropyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-amino-2-chlorophenyl)-2-methylpropyl]-1H-indazole-3-carboxamide
PubChem CID67545057
Molecular FormulaC18H19ClN4O
Molecular Weight342.83 g/mol
Exact Mass342.12
IUPAC NameN-[2-(4-amino-2-chlorophenyl)-2-methylpropyl]-1H-indazole-3-carboxamide
SMILESCC(C)(CNC(=O)c1n[nH]c2ccccc12)c1ccc(N)cc1Cl
InChIInChI=1S/C18H19ClN4O/c1-18(2,13-8-7-11(20)9-14(13)19)10-21-17(24)16-12-5-3-4-6-15(12)22-23-16/h3-9H,10,20H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyQIJYBYFCTHCXEE-UHFFFAOYSA-N
XLogP3.51
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 53.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-chloro-4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl]-1H-indazole-3-carboxamide
CID 25103426
N-(2,3-dihydroxy-2-methylpropyl)-1H-indazole-3-carboxamide
CID 66171472
N-[2-[2-chloro-4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl]-1H-indazole-3-carboxamide;N-[3,5-dichloro-4-(2-cyanopropan-2-yl)phenyl]-3,4-dimethoxybenzamide
CID 161116997
5-amino-N-(2,2,3,3-tetrafluoropropyl)-1H-indazole-3-carboxamide
CID 106289149
2-ethyl-2-[(1H-indazole-3-carbonylamino)methyl]butanoic acid
CID 115429770
5-amino-N-ethyl-1H-indazole-3-carboxamide
CID 60909138
5-amino-N-(2,2-difluoro-3-hydroxypropyl)-1H-indazole-3-carboxamide
CID 106164289
N-(3-amino-3-oxopropyl)-1H-indazole-3-carboxamide
CID 63081541
N-(2,3,3-trimethylbutyl)-1H-indazole-3-carboxamide
CID 78966222
N-(2-methylpropyl)-1H-indazole-3-carboxamide
CID 42477800
N-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-1H-indazole-3-carboxamide
CID 170858528
N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-1H-indazole-3-carboxamide
CID 29302728

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-amino-2-chlorophenyl)-2-methylpropyl]-1H-indazole-3-carboxamide?
The IUPAC name of N-[2-(4-amino-2-chlorophenyl)-2-methylpropyl]-1H-indazole-3-carboxamide (CID 67545057) is N-[2-(4-amino-2-chlorophenyl)-2-methylpropyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[2-(4-amino-2-chlorophenyl)-2-methylpropyl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-[2-(4-amino-2-chlorophenyl)-2-methylpropyl]-1H-indazole-3-carboxamide is CC(C)(CNC(=O)c1n[nH]c2ccccc12)c1ccc(N)cc1Cl.
What is the InChIKey of N-[2-(4-amino-2-chlorophenyl)-2-methylpropyl]-1H-indazole-3-carboxamide?
The InChIKey is QIJYBYFCTHCXEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O/c1-18(2,13-8-7-11(20)9-14(13)19)10-21-17(24)16-12-5-3-4-6-15(12)22-23-16/h3-9H,10,20H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of N-[2-(4-amino-2-chlorophenyl)-2-methylpropyl]-1H-indazole-3-carboxamide?
N-[2-(4-amino-2-chlorophenyl)-2-methylpropyl]-1H-indazole-3-carboxamide has a molecular weight of 342.83 g/mol, XLogP of 3.51, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-amino-2-chlorophenyl)-2-methylpropyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 67545057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).