N-[(3-fluorophenyl)methyl]-N-methyl-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide

C16H20FN3O — CID 78880562

IUPACN-[(3-fluorophenyl)methyl]-N-methyl-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
SMILESCC(C)Cc1cc(C(=O)N(C)Cc2cccc(F)c2)n[nH]1
InChIInChI=1S/C16H20FN3O/c1-11(2)7-14-9-15(19-18-14)16(21)20(3)10-12-5-4-6-13(17)8-12/h4-6,8-9,11H,7,10H2,1-3H3,(H,18,19)
InChIKeyZWJKQNVQDHDOGB-UHFFFAOYSA-N
MW289.35 g/mol
LogP3.02
Rot. Bonds5

About N-[(3-fluorophenyl)methyl]-N-methyl-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide

N-[(3-fluorophenyl)methyl]-N-methyl-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide (PubChem CID 78880562) has the molecular formula C16H20FN3O and a molecular weight of 289.35 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-N-methyl-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-N-methyl-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
PubChem CID78880562
Molecular FormulaC16H20FN3O
Molecular Weight289.35 g/mol
Exact Mass289.16
IUPAC NameN-[(3-fluorophenyl)methyl]-N-methyl-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
SMILESCC(C)Cc1cc(C(=O)N(C)Cc2cccc(F)c2)n[nH]1
InChIInChI=1S/C16H20FN3O/c1-11(2)7-14-9-15(19-18-14)16(21)20(3)10-12-5-4-6-13(17)8-12/h4-6,8-9,11H,7,10H2,1-3H3,(H,18,19)
InChIKeyZWJKQNVQDHDOGB-UHFFFAOYSA-N
XLogP3.02
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-cyclopropyl-N-[(3-fluorophenyl)methyl]-N-methyl-1H-pyrazole-3-carboxamide
CID 25341933
N-[(3-fluorophenyl)methyl]-N-methyl-6-(methylamino)pyridine-2-carboxamide
CID 62239255
6-chloro-N-[(3-fluorophenyl)methyl]-N-methylpyridine-2-carboxamide
CID 62235425
N-[(3-fluorophenyl)methyl]-6-hydrazinyl-N-methylpyridine-2-carboxamide
CID 62238406
N-[(3-fluorophenyl)methyl]-N-methyl-4-oxo-3H-phthalazine-1-carboxamide
CID 18113901
N-[(2-aminopyrimidin-5-yl)methyl]-5-[(3-fluorophenoxy)methyl]-N-methyl-1H-pyrazole-3-carboxamide
CID 56757672
6-chloro-N-[(3-fluorophenyl)methyl]-N-methylpyridazine-3-carboxamide
CID 60857881
N-[(3-fluorophenyl)methyl]-N-methylbenzamide
CID 60631048
N-[(3-fluorophenyl)methyl]-N,5-dimethyl-4-nitro-1H-pyrazole-3-carboxamide
CID 47087177
N-(2-hydroxy-3-methoxypropyl)-N-methyl-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
CID 111695048
2,2-difluoro-N-[(3-fluorophenyl)methyl]-N-methylacetamide
CID 103600519
1-(3-fluorophenyl)-N-[(3-fluorophenyl)methyl]-N-methylpyrazole-3-carboxamide
CID 86844397

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-N-methyl-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-N-methyl-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide (CID 78880562) is N-[(3-fluorophenyl)methyl]-N-methyl-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-N-methyl-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-N-methyl-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide is CC(C)Cc1cc(C(=O)N(C)Cc2cccc(F)c2)n[nH]1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-N-methyl-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide?
The InChIKey is ZWJKQNVQDHDOGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O/c1-11(2)7-14-9-15(19-18-14)16(21)20(3)10-12-5-4-6-13(17)8-12/h4-6,8-9,11H,7,10H2,1-3H3,(H,18,19).
What are the key properties of N-[(3-fluorophenyl)methyl]-N-methyl-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide?
N-[(3-fluorophenyl)methyl]-N-methyl-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide has a molecular weight of 289.35 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-N-methyl-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 78880562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).