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

C15H13N5O2S — CID 51999241

IUPAC1-methyl-N-pyridin-3-yl-5-(thiophene-2-carbonylamino)pyrazole-3-carboxamide
SMILESCn1nc(C(=O)Nc2cccnc2)cc1NC(=O)c1cccs1
InChIInChI=1S/C15H13N5O2S/c1-20-13(18-15(22)12-5-3-7-23-12)8-11(19-20)14(21)17-10-4-2-6-16-9-10/h2-9H,1H3,(H,17,21)(H,18,22)
InChIKeyVILHTIFXTAQPRS-UHFFFAOYSA-N
MW327.37 g/mol
LogP2.38
Rot. Bonds4

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

1-methyl-N-pyridin-3-yl-5-(thiophene-2-carbonylamino)pyrazole-3-carboxamide (PubChem CID 51999241) has the molecular formula C15H13N5O2S and a molecular weight of 327.37 g/mol. Its IUPAC name is 1-methyl-N-pyridin-3-yl-5-(thiophene-2-carbonylamino)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-pyridin-3-yl-5-(thiophene-2-carbonylamino)pyrazole-3-carboxamide
PubChem CID51999241
Molecular FormulaC15H13N5O2S
Molecular Weight327.37 g/mol
Exact Mass327.08
IUPAC Name1-methyl-N-pyridin-3-yl-5-(thiophene-2-carbonylamino)pyrazole-3-carboxamide
SMILESCn1nc(C(=O)Nc2cccnc2)cc1NC(=O)c1cccs1
InChIInChI=1S/C15H13N5O2S/c1-20-13(18-15(22)12-5-3-7-23-12)8-11(19-20)14(21)17-10-4-2-6-16-9-10/h2-9H,1H3,(H,17,21)(H,18,22)
InChIKeyVILHTIFXTAQPRS-UHFFFAOYSA-N
XLogP2.38
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.37
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-fluorophenyl)-1-methyl-5-(thiophene-2-carbonylamino)pyrazole-3-carboxamide
CID 51999140
N-(4-methoxyphenyl)-1-methyl-5-(thiophene-2-carbonylamino)pyrazole-3-carboxamide
CID 51999156
N-(4-ethoxyphenyl)-1-methyl-5-(thiophene-2-carbonylamino)pyrazole-3-carboxamide
CID 51999157
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-butan-2-yl-1-methyl-5-(thiophene-2-carbonylamino)pyrazole-3-carboxamide
CID 56686277
N-[3-[(2,5-dimethylpyrazol-3-yl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 46412624
N-[(4-methoxyphenyl)methyl]-1-methyl-5-(thiophene-2-carbonylamino)pyrazole-3-carboxamide
CID 51999191
N-[(3,4-dimethoxyphenyl)methyl]-1-methyl-5-(thiophene-2-carbonylamino)pyrazole-3-carboxamide
CID 51999279
N-[4-[(pyridine-3-carbonylamino)carbamoyl]phenyl]thiophene-2-carboxamide
CID 9324552
N-[3-[(thiophene-2-carbonylamino)methyl]phenyl]pyridine-3-carboxamide
CID 108926382
2-bromo-N-pyridin-3-yl-1,3-thiazole-4-carboxamide
CID 141426406

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-pyridin-3-yl-5-(thiophene-2-carbonylamino)pyrazole-3-carboxamide?
The IUPAC name of 1-methyl-N-pyridin-3-yl-5-(thiophene-2-carbonylamino)pyrazole-3-carboxamide (CID 51999241) is 1-methyl-N-pyridin-3-yl-5-(thiophene-2-carbonylamino)pyrazole-3-carboxamide.
What is the SMILES notation for 1-methyl-N-pyridin-3-yl-5-(thiophene-2-carbonylamino)pyrazole-3-carboxamide?
The canonical SMILES for 1-methyl-N-pyridin-3-yl-5-(thiophene-2-carbonylamino)pyrazole-3-carboxamide is Cn1nc(C(=O)Nc2cccnc2)cc1NC(=O)c1cccs1.
What is the InChIKey of 1-methyl-N-pyridin-3-yl-5-(thiophene-2-carbonylamino)pyrazole-3-carboxamide?
The InChIKey is VILHTIFXTAQPRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O2S/c1-20-13(18-15(22)12-5-3-7-23-12)8-11(19-20)14(21)17-10-4-2-6-16-9-10/h2-9H,1H3,(H,17,21)(H,18,22).
What are the key properties of 1-methyl-N-pyridin-3-yl-5-(thiophene-2-carbonylamino)pyrazole-3-carboxamide?
1-methyl-N-pyridin-3-yl-5-(thiophene-2-carbonylamino)pyrazole-3-carboxamide has a molecular weight of 327.37 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-pyridin-3-yl-5-(thiophene-2-carbonylamino)pyrazole-3-carboxamide is sourced from PubChem (CID 51999241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).