N-[1-(4-fluorophenyl)pyrazol-3-yl]-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide

C20H21FN4OS — CID 138584940

IUPACN-[1-(4-fluorophenyl)pyrazol-3-yl]-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide
SMILESCN1CCC(N(C(=O)c2cccs2)c2ccn(-c3ccc(F)cc3)n2)CC1
InChIInChI=1S/C20H21FN4OS/c1-23-11-8-17(9-12-23)25(20(26)18-3-2-14-27-18)19-10-13-24(22-19)16-6-4-15(21)5-7-16/h2-7,10,13-14,17H,8-9,11-12H2,1H3
InChIKeyPCWCDWUAQRGSOG-UHFFFAOYSA-N
MW384.48 g/mol
LogP3.81
Rot. Bonds4

About N-[1-(4-fluorophenyl)pyrazol-3-yl]-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide

N-[1-(4-fluorophenyl)pyrazol-3-yl]-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide (PubChem CID 138584940) has the molecular formula C20H21FN4OS and a molecular weight of 384.48 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)pyrazol-3-yl]-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)pyrazol-3-yl]-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide
PubChem CID138584940
Molecular FormulaC20H21FN4OS
Molecular Weight384.48 g/mol
Exact Mass384.14
IUPAC NameN-[1-(4-fluorophenyl)pyrazol-3-yl]-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide
SMILESCN1CCC(N(C(=O)c2cccs2)c2ccn(-c3ccc(F)cc3)n2)CC1
InChIInChI=1S/C20H21FN4OS/c1-23-11-8-17(9-12-23)25(20(26)18-3-2-14-27-18)19-10-13-24(22-19)16-6-4-15(21)5-7-16/h2-7,10,13-14,17H,8-9,11-12H2,1H3
InChIKeyPCWCDWUAQRGSOG-UHFFFAOYSA-N
XLogP3.81
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-Anilino-1-[4-(cyanomethyl)-1-(thiophene-2-carbonyl)piperidin-4-yl]pyrazole-4-carboxamide
CID 89462279
Cambridge id 5583804
CID 1350714
N-{4-[(4-methyl-1-piperazinyl)carbonyl]-1-phenyl-1H-pyrazol-5-yl}-2-thiophenecarboxamide
CID 1350909
3-Anilino-1-[4-(cyanomethyl)-1-(thiophene-3-carbonyl)piperidin-4-yl]pyrazole-4-carboxamide
CID 89473543
US10577360, Example 1
CID 132010851
US10577360, Example 135
CID 132035781
US10577360, Example 82
CID 132035905
US10577360, Example 124
CID 132035915
US10577360, Example 119
CID 132036168
US10577360, Example 93
CID 132036346
US10577360, Example 92
CID 132036348
US10577360, Example 22
CID 138584975

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)pyrazol-3-yl]-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide?
The IUPAC name of N-[1-(4-fluorophenyl)pyrazol-3-yl]-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide (CID 138584940) is N-[1-(4-fluorophenyl)pyrazol-3-yl]-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)pyrazol-3-yl]-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide?
The canonical SMILES for N-[1-(4-fluorophenyl)pyrazol-3-yl]-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide is CN1CCC(N(C(=O)c2cccs2)c2ccn(-c3ccc(F)cc3)n2)CC1.
What is the InChIKey of N-[1-(4-fluorophenyl)pyrazol-3-yl]-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide?
The InChIKey is PCWCDWUAQRGSOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4OS/c1-23-11-8-17(9-12-23)25(20(26)18-3-2-14-27-18)19-10-13-24(22-19)16-6-4-15(21)5-7-16/h2-7,10,13-14,17H,8-9,11-12H2,1H3.
What are the key properties of N-[1-(4-fluorophenyl)pyrazol-3-yl]-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide?
N-[1-(4-fluorophenyl)pyrazol-3-yl]-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide has a molecular weight of 384.48 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)pyrazol-3-yl]-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide is sourced from PubChem (CID 138584940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).