4-(4-bromo-1-methylpyrazol-5-yl)-N-[4-(4-fluorophenyl)piperidin-4-yl]thiophene-2-carboxamide

C20H20BrFN4OS — CID 127049216

IUPAC4-(4-bromo-1-methylpyrazol-5-yl)-N-[4-(4-fluorophenyl)piperidin-4-yl]thiophene-2-carboxamide
SMILESCn1ncc(Br)c1-c1csc(C(=O)NC2(c3ccc(F)cc3)CCNCC2)c1
InChIInChI=1S/C20H20BrFN4OS/c1-26-18(16(21)11-24-26)13-10-17(28-12-13)19(27)25-20(6-8-23-9-7-20)14-2-4-15(22)5-3-14/h2-5,10-12,23H,6-9H2,1H3,(H,25,27)
InChIKeyLPMQFBYONXKOIW-UHFFFAOYSA-N
MW463.38 g/mol
LogP4.06
Rot. Bonds4

About 4-(4-bromo-1-methylpyrazol-5-yl)-N-[4-(4-fluorophenyl)piperidin-4-yl]thiophene-2-carboxamide

4-(4-bromo-1-methylpyrazol-5-yl)-N-[4-(4-fluorophenyl)piperidin-4-yl]thiophene-2-carboxamide (PubChem CID 127049216) has the molecular formula C20H20BrFN4OS and a molecular weight of 463.38 g/mol. Its IUPAC name is 4-(4-bromo-1-methylpyrazol-5-yl)-N-[4-(4-fluorophenyl)piperidin-4-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4-(4-bromo-1-methylpyrazol-5-yl)-N-[4-(4-fluorophenyl)piperidin-4-yl]thiophene-2-carboxamide
PubChem CID127049216
Molecular FormulaC20H20BrFN4OS
Molecular Weight463.38 g/mol
Exact Mass462.05
IUPAC Name4-(4-bromo-1-methylpyrazol-5-yl)-N-[4-(4-fluorophenyl)piperidin-4-yl]thiophene-2-carboxamide
SMILESCn1ncc(Br)c1-c1csc(C(=O)NC2(c3ccc(F)cc3)CCNCC2)c1
InChIInChI=1S/C20H20BrFN4OS/c1-26-18(16(21)11-24-26)13-10-17(28-12-13)19(27)25-20(6-8-23-9-7-20)14-2-4-15(22)5-3-14/h2-5,10-12,23H,6-9H2,1H3,(H,25,27)
InChIKeyLPMQFBYONXKOIW-UHFFFAOYSA-N
XLogP4.06
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.38
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-chloro-1-methylpyrazol-5-yl)-N-[(3S,4S)-4-(3-fluorophenyl)piperidin-3-yl]thiophene-2-carboxamide;hydrochloride
CID 155511113
US9776991, Example 52
CID 118112734
N-(2-bromophenyl)-1-(2-cyanoethyl)-3-(2-thienyl)-1H-pyrazole-4-carboxamide
CID 2529484
N-[4-(4-fluorophenyl)piperidin-4-yl]-4-(2-methylpyrazol-3-yl)thiophene-2-carboxamide
CID 127049214
4-(4-chloro-1-methylpyrazol-5-yl)-N-[4-(4-fluorophenyl)piperidin-4-yl]thiophene-2-carboxamide
CID 127049215
4-(4-chloro-1-methylpyrazol-5-yl)-N-[(3S,4S)-4-(4-chlorophenyl)piperidin-3-yl]thiophene-2-carboxamide
CID 155515321
5-(4-bromo-1-methylpyrazol-5-yl)-N-[(3S,4S)-4-(3-fluorophenyl)piperidin-3-yl]thiophene-2-carboxamide;hydrochloride
CID 155517116
N-[(3S,4S)-4-(3-fluorophenyl)piperidin-3-yl]-5-(2-methylpyrazol-3-yl)thiophene-2-carboxamide;hydrochloride
CID 155518023
4-(4-chloro-1-methylpyrazol-5-yl)-N-[(3S,4S)-4-(3-fluorophenyl)piperidin-3-yl]thiophene-2-carboxamide;hydrochloride
CID 155521934
5-(4-ethenyl-1-methylpyrazol-5-yl)-N-[(3S,4S)-4-(3-fluorophenyl)piperidin-3-yl]thiophene-2-carboxamide;hydrochloride
CID 155532647
5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)-N-[(3S,4S)-4-(3-fluorophenyl)piperidin-3-yl]thiophene-2-carboxamide
CID 155539664
N-[(3S,4S)-4-(3-fluorophenyl)piperidin-3-yl]-5-(1-methyl-4-phenylpyrazol-5-yl)thiophene-2-carboxamide;hydrochloride
CID 155543985

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-1-methylpyrazol-5-yl)-N-[4-(4-fluorophenyl)piperidin-4-yl]thiophene-2-carboxamide?
The IUPAC name of 4-(4-bromo-1-methylpyrazol-5-yl)-N-[4-(4-fluorophenyl)piperidin-4-yl]thiophene-2-carboxamide (CID 127049216) is 4-(4-bromo-1-methylpyrazol-5-yl)-N-[4-(4-fluorophenyl)piperidin-4-yl]thiophene-2-carboxamide.
What is the SMILES notation for 4-(4-bromo-1-methylpyrazol-5-yl)-N-[4-(4-fluorophenyl)piperidin-4-yl]thiophene-2-carboxamide?
The canonical SMILES for 4-(4-bromo-1-methylpyrazol-5-yl)-N-[4-(4-fluorophenyl)piperidin-4-yl]thiophene-2-carboxamide is Cn1ncc(Br)c1-c1csc(C(=O)NC2(c3ccc(F)cc3)CCNCC2)c1.
What is the InChIKey of 4-(4-bromo-1-methylpyrazol-5-yl)-N-[4-(4-fluorophenyl)piperidin-4-yl]thiophene-2-carboxamide?
The InChIKey is LPMQFBYONXKOIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20BrFN4OS/c1-26-18(16(21)11-24-26)13-10-17(28-12-13)19(27)25-20(6-8-23-9-7-20)14-2-4-15(22)5-3-14/h2-5,10-12,23H,6-9H2,1H3,(H,25,27).
What are the key properties of 4-(4-bromo-1-methylpyrazol-5-yl)-N-[4-(4-fluorophenyl)piperidin-4-yl]thiophene-2-carboxamide?
4-(4-bromo-1-methylpyrazol-5-yl)-N-[4-(4-fluorophenyl)piperidin-4-yl]thiophene-2-carboxamide has a molecular weight of 463.38 g/mol, XLogP of 4.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-1-methylpyrazol-5-yl)-N-[4-(4-fluorophenyl)piperidin-4-yl]thiophene-2-carboxamide is sourced from PubChem (CID 127049216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).