N-[4-(4-fluorophenyl)piperidin-4-yl]-4-(2-methylpyrazol-3-yl)thiophene-2-carboxamide

C20H21FN4OS — CID 127049214

IUPACN-[4-(4-fluorophenyl)piperidin-4-yl]-4-(2-methylpyrazol-3-yl)thiophene-2-carboxamide
SMILESCn1nccc1-c1csc(C(=O)NC2(c3ccc(F)cc3)CCNCC2)c1
InChIInChI=1S/C20H21FN4OS/c1-25-17(6-9-23-25)14-12-18(27-13-14)19(26)24-20(7-10-22-11-8-20)15-2-4-16(21)5-3-15/h2-6,9,12-13,22H,7-8,10-11H2,1H3,(H,24,26)
InChIKeyNAIQKXKDKHEYMA-UHFFFAOYSA-N
MW384.48 g/mol
LogP3.30
Rot. Bonds4

About N-[4-(4-fluorophenyl)piperidin-4-yl]-4-(2-methylpyrazol-3-yl)thiophene-2-carboxamide

N-[4-(4-fluorophenyl)piperidin-4-yl]-4-(2-methylpyrazol-3-yl)thiophene-2-carboxamide (PubChem CID 127049214) has the molecular formula C20H21FN4OS and a molecular weight of 384.48 g/mol. Its IUPAC name is N-[4-(4-fluorophenyl)piperidin-4-yl]-4-(2-methylpyrazol-3-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-(4-fluorophenyl)piperidin-4-yl]-4-(2-methylpyrazol-3-yl)thiophene-2-carboxamide
PubChem CID127049214
Molecular FormulaC20H21FN4OS
Molecular Weight384.48 g/mol
Exact Mass384.14
IUPAC NameN-[4-(4-fluorophenyl)piperidin-4-yl]-4-(2-methylpyrazol-3-yl)thiophene-2-carboxamide
SMILESCn1nccc1-c1csc(C(=O)NC2(c3ccc(F)cc3)CCNCC2)c1
InChIInChI=1S/C20H21FN4OS/c1-25-17(6-9-23-25)14-12-18(27-13-14)19(26)24-20(7-10-22-11-8-20)15-2-4-16(21)5-3-15/h2-6,9,12-13,22H,7-8,10-11H2,1H3,(H,24,26)
InChIKeyNAIQKXKDKHEYMA-UHFFFAOYSA-N
XLogP3.30
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Afuresertib
CID 46843057
1-phenyl-N-(pyridin-3-yl)-3-(thiophen-2-yl)-1H-pyrazole-4-carboxamide
CID 2999058
(6r)-3-(Methylsulfanyl)-6-Phenyl-1-(1h-Pyrazol-3-Yl)-6,7-Dihydrothieno[3,4-C]pyridin-4(5h)-One
CID 57334388
N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-1-phenyl-3-(2-thienyl)pyrazole-4-carboxamide
CID 2329736
CB2 Inhibitor, 2
CID 16376054
N-Cyclohexyl-2-(1,3-dimethyl-1H-pyrazol-4-yl)-2-[(4-fluoro-phenyl)-(2-thiophen-2-yl-acetyl)-amino]-acetamide
CID 3191222
5-(4-chloro-1-methylpyrazol-5-yl)-N-[(3S,4S)-4-(3-fluorophenyl)piperidin-3-yl]thiophene-2-carboxamide;hydrochloride
CID 155511113
N-benzyl-1-(2-cyanoethyl)-3-thiophen-2-ylpyrazole-4-carboxamide
CID 2529430
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
N-[4-(dimethylamino)phenyl]-1-phenyl-3-(2-thienyl)pyrazole-4-carboxamide
CID 2336084
1-phenyl-N-(pyridin-4-yl)-3-(thiophen-2-yl)-1H-pyrazole-4-carboxamide
CID 5161671

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluorophenyl)piperidin-4-yl]-4-(2-methylpyrazol-3-yl)thiophene-2-carboxamide?
The IUPAC name of N-[4-(4-fluorophenyl)piperidin-4-yl]-4-(2-methylpyrazol-3-yl)thiophene-2-carboxamide (CID 127049214) is N-[4-(4-fluorophenyl)piperidin-4-yl]-4-(2-methylpyrazol-3-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-[4-(4-fluorophenyl)piperidin-4-yl]-4-(2-methylpyrazol-3-yl)thiophene-2-carboxamide?
The canonical SMILES for N-[4-(4-fluorophenyl)piperidin-4-yl]-4-(2-methylpyrazol-3-yl)thiophene-2-carboxamide is Cn1nccc1-c1csc(C(=O)NC2(c3ccc(F)cc3)CCNCC2)c1.
What is the InChIKey of N-[4-(4-fluorophenyl)piperidin-4-yl]-4-(2-methylpyrazol-3-yl)thiophene-2-carboxamide?
The InChIKey is NAIQKXKDKHEYMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4OS/c1-25-17(6-9-23-25)14-12-18(27-13-14)19(26)24-20(7-10-22-11-8-20)15-2-4-16(21)5-3-15/h2-6,9,12-13,22H,7-8,10-11H2,1H3,(H,24,26).
What are the key properties of N-[4-(4-fluorophenyl)piperidin-4-yl]-4-(2-methylpyrazol-3-yl)thiophene-2-carboxamide?
N-[4-(4-fluorophenyl)piperidin-4-yl]-4-(2-methylpyrazol-3-yl)thiophene-2-carboxamide has a molecular weight of 384.48 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-fluorophenyl)piperidin-4-yl]-4-(2-methylpyrazol-3-yl)thiophene-2-carboxamide is sourced from PubChem (CID 127049214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).