4-fluoro-N-[2-methyl-5-(1H-pyrazol-5-yl)thiophen-3-yl]benzamide

C15H12FN3OS — CID 53163521

IUPAC4-fluoro-N-[2-methyl-5-(1H-pyrazol-5-yl)thiophen-3-yl]benzamide
SMILESCc1sc(-c2ccn[nH]2)cc1NC(=O)c1ccc(F)cc1
InChIInChI=1S/C15H12FN3OS/c1-9-13(8-14(21-9)12-6-7-17-19-12)18-15(20)10-2-4-11(16)5-3-10/h2-8H,1H3,(H,17,19)(H,18,20)
InChIKeyCCBROCQDNOSYDH-UHFFFAOYSA-N
MW301.35 g/mol
LogP3.84
Rot. Bonds3

About 4-fluoro-N-[2-methyl-5-(1H-pyrazol-5-yl)thiophen-3-yl]benzamide

4-fluoro-N-[2-methyl-5-(1H-pyrazol-5-yl)thiophen-3-yl]benzamide (PubChem CID 53163521) has the molecular formula C15H12FN3OS and a molecular weight of 301.35 g/mol. Its IUPAC name is 4-fluoro-N-[2-methyl-5-(1H-pyrazol-5-yl)thiophen-3-yl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[2-methyl-5-(1H-pyrazol-5-yl)thiophen-3-yl]benzamide
PubChem CID53163521
Molecular FormulaC15H12FN3OS
Molecular Weight301.35 g/mol
Exact Mass301.07
IUPAC Name4-fluoro-N-[2-methyl-5-(1H-pyrazol-5-yl)thiophen-3-yl]benzamide
SMILESCc1sc(-c2ccn[nH]2)cc1NC(=O)c1ccc(F)cc1
InChIInChI=1S/C15H12FN3OS/c1-9-13(8-14(21-9)12-6-7-17-19-12)18-15(20)10-2-4-11(16)5-3-10/h2-8H,1H3,(H,17,19)(H,18,20)
InChIKeyCCBROCQDNOSYDH-UHFFFAOYSA-N
XLogP3.84
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,2-dimethyl-6-(5-methyl-1H-pyrazol-4-yl)-2-(2,2,2-trifluoroethyl)-2,3-dihydrothieno[3,2-d]pyrimidin-4(1H)-one
CID 46871772
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-benzyl-1H-pyrazol-3-yl)-N-hydroxythiophene-2-carboxamide
CID 10470023
N-hydroxy-5-(1-phenethyl-1H-pyrazol-3-yl)thiophene-2-carboxamide
CID 11723098
N-[4-(4,5-Dihydro-2H-9-thia-1,2,6-triaza-cyclopenta[e]azulene-6-carbonyl)-phenyl]-5-fluoro-2-methyl-benzamide
CID 19699097
N-hydroxy-5-(1-(3-phenylpropyl)-1H-pyrazol-3-yl)thiophene-2-carboxamide
CID 44418166
1,2,2-trimethyl-6-(5-methyl-1H-pyrazol-4-yl)-2,3-dihydrothieno[3,2-d]pyrimidin-4(1H)-one
CID 66743321
6'-(5-methyl-1H-pyrazol-4-yl)-1'H-spiro [cyclohexane-1,2'-thieno[3,2-d]pyrimidin]-4'(3'H)-one
CID 66743431
6-(5-ethyl-1H-pyrazol-4-yl)-1,2,2-trimethyl-2,3-dihydrothieno[3,2-d]pyrimidin-4(1H)-one
CID 66743877
6-(4-fluorophenyl)-3-methylsulfanyl-1-(1H-pyrazol-5-yl)-6,7-dihydro-5H-thieno[3,4-c]pyridin-4-one
CID 69048861
2-Cyclohexyl-6-(3-methyl-1H-pyrazol-4-yl)-thieno[3,2-d]pyrimidin-4(3h)-one
CID 136443811

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-methyl-5-(1H-pyrazol-5-yl)thiophen-3-yl]benzamide?
The IUPAC name of 4-fluoro-N-[2-methyl-5-(1H-pyrazol-5-yl)thiophen-3-yl]benzamide (CID 53163521) is 4-fluoro-N-[2-methyl-5-(1H-pyrazol-5-yl)thiophen-3-yl]benzamide.
What is the SMILES notation for 4-fluoro-N-[2-methyl-5-(1H-pyrazol-5-yl)thiophen-3-yl]benzamide?
The canonical SMILES for 4-fluoro-N-[2-methyl-5-(1H-pyrazol-5-yl)thiophen-3-yl]benzamide is Cc1sc(-c2ccn[nH]2)cc1NC(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[2-methyl-5-(1H-pyrazol-5-yl)thiophen-3-yl]benzamide?
The InChIKey is CCBROCQDNOSYDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3OS/c1-9-13(8-14(21-9)12-6-7-17-19-12)18-15(20)10-2-4-11(16)5-3-10/h2-8H,1H3,(H,17,19)(H,18,20).
What are the key properties of 4-fluoro-N-[2-methyl-5-(1H-pyrazol-5-yl)thiophen-3-yl]benzamide?
4-fluoro-N-[2-methyl-5-(1H-pyrazol-5-yl)thiophen-3-yl]benzamide has a molecular weight of 301.35 g/mol, XLogP of 3.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-methyl-5-(1H-pyrazol-5-yl)thiophen-3-yl]benzamide is sourced from PubChem (CID 53163521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).