5-amino-N-[(3-fluorophenyl)methyl]-1-methylpyrazole-4-carboxamide

C12H13FN4O — CID 115330388

IUPAC5-amino-N-[(3-fluorophenyl)methyl]-1-methylpyrazole-4-carboxamide
SMILESCn1ncc(C(=O)NCc2cccc(F)c2)c1N
InChIInChI=1S/C12H13FN4O/c1-17-11(14)10(7-16-17)12(18)15-6-8-3-2-4-9(13)5-8/h2-5,7H,6,14H2,1H3,(H,15,18)
InChIKeyACSOTHJLNBLPGZ-UHFFFAOYSA-N
MW248.26 g/mol
LogP1.07
Rot. Bonds3

About 5-amino-N-[(3-fluorophenyl)methyl]-1-methylpyrazole-4-carboxamide

5-amino-N-[(3-fluorophenyl)methyl]-1-methylpyrazole-4-carboxamide (PubChem CID 115330388) has the molecular formula C12H13FN4O and a molecular weight of 248.26 g/mol. Its IUPAC name is 5-amino-N-[(3-fluorophenyl)methyl]-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-[(3-fluorophenyl)methyl]-1-methylpyrazole-4-carboxamide
PubChem CID115330388
Molecular FormulaC12H13FN4O
Molecular Weight248.26 g/mol
Exact Mass248.11
IUPAC Name5-amino-N-[(3-fluorophenyl)methyl]-1-methylpyrazole-4-carboxamide
SMILESCn1ncc(C(=O)NCc2cccc(F)c2)c1N
InChIInChI=1S/C12H13FN4O/c1-17-11(14)10(7-16-17)12(18)15-6-8-3-2-4-9(13)5-8/h2-5,7H,6,14H2,1H3,(H,15,18)
InChIKeyACSOTHJLNBLPGZ-UHFFFAOYSA-N
XLogP1.07
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 115330327
5-amino-N-benzyl-1-methylpyrazole-4-carboxamide
CID 13174826
5-amino-1-methyl-N-(naphthalen-1-ylmethyl)pyrazole-4-carboxamide
CID 115330748
N-[(3-fluorophenyl)methyl]-5-methyl-1-phenylpyrazole-4-carboxamide
CID 94048318
4-amino-3-ethyl-N-[(3-fluorophenyl)methyl]-1-methylpyrazole-5-carboxamide
CID 66122977
N-[(5-amino-1-methylpyrazol-4-yl)methyl]-5-fluoro-2-methylbenzamide
CID 79524292
N-[(3-fluorophenyl)methyl]-2-hydroxy-3-methylbenzamide
CID 28889361
N-[(3-fluorophenyl)methyl]-3-hydroxy-2-methylbenzamide
CID 82795234
5-amino-1-methyl-N-(2-pyridin-3-ylethyl)pyrazole-4-carboxamide
CID 115330467
5-amino-1-methyl-N-[(3-methyl-2-pyridinyl)methyl]pyrazole-4-carboxamide
CID 113288594
N-[(3-fluorophenyl)methyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 45495918
N-[(3-aminophenyl)methyl]-2,4-difluorobenzamide
CID 62499463

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(3-fluorophenyl)methyl]-1-methylpyrazole-4-carboxamide?
The IUPAC name of 5-amino-N-[(3-fluorophenyl)methyl]-1-methylpyrazole-4-carboxamide (CID 115330388) is 5-amino-N-[(3-fluorophenyl)methyl]-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-[(3-fluorophenyl)methyl]-1-methylpyrazole-4-carboxamide?
The canonical SMILES for 5-amino-N-[(3-fluorophenyl)methyl]-1-methylpyrazole-4-carboxamide is Cn1ncc(C(=O)NCc2cccc(F)c2)c1N.
What is the InChIKey of 5-amino-N-[(3-fluorophenyl)methyl]-1-methylpyrazole-4-carboxamide?
The InChIKey is ACSOTHJLNBLPGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4O/c1-17-11(14)10(7-16-17)12(18)15-6-8-3-2-4-9(13)5-8/h2-5,7H,6,14H2,1H3,(H,15,18).
What are the key properties of 5-amino-N-[(3-fluorophenyl)methyl]-1-methylpyrazole-4-carboxamide?
5-amino-N-[(3-fluorophenyl)methyl]-1-methylpyrazole-4-carboxamide has a molecular weight of 248.26 g/mol, XLogP of 1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(3-fluorophenyl)methyl]-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 115330388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).