N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-3-methylthiophene-2-carboxamide

C16H14FN3OS — CID 35277664

IUPACN-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)Nc1cnn(Cc2ccc(F)cc2)c1
InChIInChI=1S/C16H14FN3OS/c1-11-6-7-22-15(11)16(21)19-14-8-18-20(10-14)9-12-2-4-13(17)5-3-12/h2-8,10H,9H2,1H3,(H,19,21)
InChIKeyWCBAVUQTYWJALM-UHFFFAOYSA-N
MW315.37 g/mol
LogP3.69
Rot. Bonds4

About N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-3-methylthiophene-2-carboxamide

N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-3-methylthiophene-2-carboxamide (PubChem CID 35277664) has the molecular formula C16H14FN3OS and a molecular weight of 315.37 g/mol. Its IUPAC name is N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-3-methylthiophene-2-carboxamide
PubChem CID35277664
Molecular FormulaC16H14FN3OS
Molecular Weight315.37 g/mol
Exact Mass315.08
IUPAC NameN-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)Nc1cnn(Cc2ccc(F)cc2)c1
InChIInChI=1S/C16H14FN3OS/c1-11-6-7-22-15(11)16(21)19-14-8-18-20(10-14)9-12-2-4-13(17)5-3-12/h2-8,10H,9H2,1H3,(H,19,21)
InChIKeyWCBAVUQTYWJALM-UHFFFAOYSA-N
XLogP3.69
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 5298288
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CID 3191222
phenyl[3-(2-thienyl)-1H-pyrazol-1-yl]methanone
CID 2814851
5-methyl-N-(3-{N-[(1-methyl-1H-pyrazol-3-yl)carbonyl]ethanehydrazonoyl}phenyl)-2-thiophenecarboxamide
CID 7308643
5-(1-(2-(benzylamino)ethyl)-1H-pyrazol-3-yl)-N-hydroxythiophene-2-carboxamide
CID 10246779
N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydro-1H-indazol-4-yl]-3-thiophenecarboxamide
CID 45184368
4-((1S,2R)-2-(cyclobutylamino)cyclopropyl)-5-methyl-N-(1-methyl-1H-pyrazol-4-yl)thiophene-2-carboxamide
CID 118432730
4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]-5-methyl-N-(1-methylpyrazol-4-yl)thiophene-2-carboxamide
CID 118432772
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide
CID 2970279
N-[3-(1H-pyrazol-1-ylmethyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 1245434
2-fluoro-N-[(E)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]benzamide
CID 6904822
N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 16308031

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-3-methylthiophene-2-carboxamide?
The IUPAC name of N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-3-methylthiophene-2-carboxamide (CID 35277664) is N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-3-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-3-methylthiophene-2-carboxamide?
The canonical SMILES for N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-3-methylthiophene-2-carboxamide is Cc1ccsc1C(=O)Nc1cnn(Cc2ccc(F)cc2)c1.
What is the InChIKey of N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-3-methylthiophene-2-carboxamide?
The InChIKey is WCBAVUQTYWJALM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3OS/c1-11-6-7-22-15(11)16(21)19-14-8-18-20(10-14)9-12-2-4-13(17)5-3-12/h2-8,10H,9H2,1H3,(H,19,21).
What are the key properties of N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-3-methylthiophene-2-carboxamide?
N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-3-methylthiophene-2-carboxamide has a molecular weight of 315.37 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 35277664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).