4-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N,5-dimethyl-1H-pyrazole-3-carboxamide

C13H14ClFN4O — CID 62081607

IUPAC4-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N,5-dimethyl-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)N(C)Cc2c(F)cccc2Cl)c1N
InChIInChI=1S/C13H14ClFN4O/c1-7-11(16)12(18-17-7)13(20)19(2)6-8-9(14)4-3-5-10(8)15/h3-5H,6,16H2,1-2H3,(H,17,18)
InChIKeyNKSFKWXSIAROSC-UHFFFAOYSA-N
MW296.73 g/mol
LogP2.37
Rot. Bonds3

About 4-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N,5-dimethyl-1H-pyrazole-3-carboxamide

4-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N,5-dimethyl-1H-pyrazole-3-carboxamide (PubChem CID 62081607) has the molecular formula C13H14ClFN4O and a molecular weight of 296.73 g/mol. Its IUPAC name is 4-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N,5-dimethyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N,5-dimethyl-1H-pyrazole-3-carboxamide
PubChem CID62081607
Molecular FormulaC13H14ClFN4O
Molecular Weight296.73 g/mol
Exact Mass296.08
IUPAC Name4-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N,5-dimethyl-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)N(C)Cc2c(F)cccc2Cl)c1N
InChIInChI=1S/C13H14ClFN4O/c1-7-11(16)12(18-17-7)13(20)19(2)6-8-9(14)4-3-5-10(8)15/h3-5H,6,16H2,1-2H3,(H,17,18)
InChIKeyNKSFKWXSIAROSC-UHFFFAOYSA-N
XLogP2.37
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.73
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-1H-indazole-3-carboxamide
CID 18112218
N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide
CID 60628558
4-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N,5-dimethylthiophene-2-carboxamide
CID 61114856
2-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N,5-dimethylbenzamide
CID 62074845
N-[(2-chloro-6-fluorophenyl)methyl]-6-fluoro-N-methylpyridine-2-carboxamide
CID 115496956
4-N-[(2-chloro-6-fluorophenyl)methyl]-4-N-methylbenzene-1,4-dicarboxamide
CID 39910131
4-amino-N,5-dimethyl-N-[(4-propan-2-ylphenyl)methyl]-1H-pyrazole-3-carboxamide
CID 62082996
3-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpropanamide
CID 43470580
4-amino-N,5-dimethyl-N-[(3-methylthiophen-2-yl)methyl]-1H-pyrazole-3-carboxamide
CID 62082818
2-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-N,3-dimethylbenzamide
CID 107982395
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 60628551
6-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylhexanamide
CID 54869007

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N,5-dimethyl-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N,5-dimethyl-1H-pyrazole-3-carboxamide (CID 62081607) is 4-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N,5-dimethyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N,5-dimethyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N,5-dimethyl-1H-pyrazole-3-carboxamide is Cc1[nH]nc(C(=O)N(C)Cc2c(F)cccc2Cl)c1N.
What is the InChIKey of 4-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N,5-dimethyl-1H-pyrazole-3-carboxamide?
The InChIKey is NKSFKWXSIAROSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClFN4O/c1-7-11(16)12(18-17-7)13(20)19(2)6-8-9(14)4-3-5-10(8)15/h3-5H,6,16H2,1-2H3,(H,17,18).
What are the key properties of 4-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N,5-dimethyl-1H-pyrazole-3-carboxamide?
4-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N,5-dimethyl-1H-pyrazole-3-carboxamide has a molecular weight of 296.73 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N,5-dimethyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 62081607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).