N-(3-fluorophenyl)-1-methyl-5-(thiophene-2-carbonylamino)pyrazole-3-carboxamide

C16H13FN4O2S — CID 51999140

IUPACN-(3-fluorophenyl)-1-methyl-5-(thiophene-2-carbonylamino)pyrazole-3-carboxamide
SMILESCn1nc(C(=O)Nc2cccc(F)c2)cc1NC(=O)c1cccs1
InChIInChI=1S/C16H13FN4O2S/c1-21-14(19-16(23)13-6-3-7-24-13)9-12(20-21)15(22)18-11-5-2-4-10(17)8-11/h2-9H,1H3,(H,18,22)(H,19,23)
InChIKeyJQNYJQGSQHKOPY-UHFFFAOYSA-N
MW344.37 g/mol
LogP3.13
Rot. Bonds4

About N-(3-fluorophenyl)-1-methyl-5-(thiophene-2-carbonylamino)pyrazole-3-carboxamide

N-(3-fluorophenyl)-1-methyl-5-(thiophene-2-carbonylamino)pyrazole-3-carboxamide (PubChem CID 51999140) has the molecular formula C16H13FN4O2S and a molecular weight of 344.37 g/mol. Its IUPAC name is N-(3-fluorophenyl)-1-methyl-5-(thiophene-2-carbonylamino)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-1-methyl-5-(thiophene-2-carbonylamino)pyrazole-3-carboxamide
PubChem CID51999140
Molecular FormulaC16H13FN4O2S
Molecular Weight344.37 g/mol
Exact Mass344.07
IUPAC NameN-(3-fluorophenyl)-1-methyl-5-(thiophene-2-carbonylamino)pyrazole-3-carboxamide
SMILESCn1nc(C(=O)Nc2cccc(F)c2)cc1NC(=O)c1cccs1
InChIInChI=1S/C16H13FN4O2S/c1-21-14(19-16(23)13-6-3-7-24-13)9-12(20-21)15(22)18-11-5-2-4-10(17)8-11/h2-9H,1H3,(H,18,22)(H,19,23)
InChIKeyJQNYJQGSQHKOPY-UHFFFAOYSA-N
XLogP3.13
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-N-pyridin-3-yl-5-(thiophene-2-carbonylamino)pyrazole-3-carboxamide
CID 51999241
N-(4-methoxyphenyl)-1-methyl-5-(thiophene-2-carbonylamino)pyrazole-3-carboxamide
CID 51999156
3-N,5-N-bis(3-fluorophenyl)-1-methylpyrazole-3,5-dicarboxamide
CID 29097363
N-(4-ethoxyphenyl)-1-methyl-5-(thiophene-2-carbonylamino)pyrazole-3-carboxamide
CID 51999157
N-[3-[(2,5-dimethylpyrazol-3-yl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 46412624
N-[3-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]-1-methylpyrazol-5-yl]thiophene-2-carboxamide
CID 51999302
N-butan-2-yl-1-methyl-5-(thiophene-2-carbonylamino)pyrazole-3-carboxamide
CID 56686277
N-butyl-1-methyl-5-(thiophene-2-carbonylamino)pyrazole-3-carboxamide
CID 51999178
N-[(2R)-butan-2-yl]-1-methyl-5-(thiophene-2-carbonylamino)pyrazole-3-carboxamide
CID 51999172
N-(3,5-difluorophenyl)thiophene-2-carboxamide
CID 2986846
N-[1-(3-fluoroanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 46756514
N-(3-fluorophenyl)-1-methyl-5-(2,4,6-trimethylphenyl)pyrazole-3-carboxamide
CID 46104761

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-1-methyl-5-(thiophene-2-carbonylamino)pyrazole-3-carboxamide?
The IUPAC name of N-(3-fluorophenyl)-1-methyl-5-(thiophene-2-carbonylamino)pyrazole-3-carboxamide (CID 51999140) is N-(3-fluorophenyl)-1-methyl-5-(thiophene-2-carbonylamino)pyrazole-3-carboxamide.
What is the SMILES notation for N-(3-fluorophenyl)-1-methyl-5-(thiophene-2-carbonylamino)pyrazole-3-carboxamide?
The canonical SMILES for N-(3-fluorophenyl)-1-methyl-5-(thiophene-2-carbonylamino)pyrazole-3-carboxamide is Cn1nc(C(=O)Nc2cccc(F)c2)cc1NC(=O)c1cccs1.
What is the InChIKey of N-(3-fluorophenyl)-1-methyl-5-(thiophene-2-carbonylamino)pyrazole-3-carboxamide?
The InChIKey is JQNYJQGSQHKOPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN4O2S/c1-21-14(19-16(23)13-6-3-7-24-13)9-12(20-21)15(22)18-11-5-2-4-10(17)8-11/h2-9H,1H3,(H,18,22)(H,19,23).
What are the key properties of N-(3-fluorophenyl)-1-methyl-5-(thiophene-2-carbonylamino)pyrazole-3-carboxamide?
N-(3-fluorophenyl)-1-methyl-5-(thiophene-2-carbonylamino)pyrazole-3-carboxamide has a molecular weight of 344.37 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-1-methyl-5-(thiophene-2-carbonylamino)pyrazole-3-carboxamide is sourced from PubChem (CID 51999140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).