N-[(4-fluorophenyl)methyl]-N-methyl-1H-indazole-3-carboxamide

C16H14FN3O — CID 51162817

IUPACN-[(4-fluorophenyl)methyl]-N-methyl-1H-indazole-3-carboxamide
SMILESCN(Cc1ccc(F)cc1)C(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C16H14FN3O/c1-20(10-11-6-8-12(17)9-7-11)16(21)15-13-4-2-3-5-14(13)18-19-15/h2-9H,10H2,1H3,(H,18,19)
InChIKeySCJZVEFYDGQLKX-UHFFFAOYSA-N
MW283.31 g/mol
LogP2.97
Rot. Bonds3

About N-[(4-fluorophenyl)methyl]-N-methyl-1H-indazole-3-carboxamide

N-[(4-fluorophenyl)methyl]-N-methyl-1H-indazole-3-carboxamide (PubChem CID 51162817) has the molecular formula C16H14FN3O and a molecular weight of 283.31 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N-methyl-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N-methyl-1H-indazole-3-carboxamide
PubChem CID51162817
Molecular FormulaC16H14FN3O
Molecular Weight283.31 g/mol
Exact Mass283.11
IUPAC NameN-[(4-fluorophenyl)methyl]-N-methyl-1H-indazole-3-carboxamide
SMILESCN(Cc1ccc(F)cc1)C(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C16H14FN3O/c1-20(10-11-6-8-12(17)9-7-11)16(21)15-13-4-2-3-5-14(13)18-19-15/h2-9H,10H2,1H3,(H,18,19)
InChIKeySCJZVEFYDGQLKX-UHFFFAOYSA-N
XLogP2.97
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-bromophenyl)methyl]-N-methyl-1H-indazole-3-carboxamide
CID 43003333
N-[2-(4-fluorophenoxy)ethyl]-N-methyl-1H-indazole-3-carboxamide
CID 18119662
N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-1H-indazole-3-carboxamide
CID 27801844
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-1H-indazole-3-carboxamide
CID 18112218
N-[(2-chlorophenyl)methyl]-N-methyl-1H-indazole-3-carboxamide
CID 7537965
3-[1H-indazole-3-carbonyl(methyl)amino]-2-methylpropanoic acid
CID 55008009
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-methyl-1H-indazole-3-carboxamide
CID 27856730
N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-1H-indazole-3-carboxamide
CID 86998733
N-[(4-bromophenyl)methyl]-N-methyl-4-oxo-3H-phthalazine-1-carboxamide
CID 18111460
N-[(3-fluorophenyl)methyl]-N-methyl-4-oxo-3H-phthalazine-1-carboxamide
CID 18113901
N-methyl-4-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]-3H-phthalazine-1-carboxamide
CID 27788102
N-methyl-N-(2-methylbutyl)-1H-indazole-3-carboxamide
CID 63932230

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N-methyl-1H-indazole-3-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N-methyl-1H-indazole-3-carboxamide (CID 51162817) is N-[(4-fluorophenyl)methyl]-N-methyl-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N-methyl-1H-indazole-3-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N-methyl-1H-indazole-3-carboxamide is CN(Cc1ccc(F)cc1)C(=O)c1n[nH]c2ccccc12.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N-methyl-1H-indazole-3-carboxamide?
The InChIKey is SCJZVEFYDGQLKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O/c1-20(10-11-6-8-12(17)9-7-11)16(21)15-13-4-2-3-5-14(13)18-19-15/h2-9H,10H2,1H3,(H,18,19).
What are the key properties of N-[(4-fluorophenyl)methyl]-N-methyl-1H-indazole-3-carboxamide?
N-[(4-fluorophenyl)methyl]-N-methyl-1H-indazole-3-carboxamide has a molecular weight of 283.31 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-N-methyl-1H-indazole-3-carboxamide is sourced from PubChem (CID 51162817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).