3-(4-fluorophenyl)-N-[2-(hydroxymethyl)-3-thiophen-2-ylpropyl]-1H-pyrazole-5-carboxamide

C18H18FN3O2S — CID 74237965

IUPAC3-(4-fluorophenyl)-N-[2-(hydroxymethyl)-3-thiophen-2-ylpropyl]-1H-pyrazole-5-carboxamide
SMILESO=C(NCC(CO)Cc1cccs1)c1cc(-c2ccc(F)cc2)n[nH]1
InChIInChI=1S/C18H18FN3O2S/c19-14-5-3-13(4-6-14)16-9-17(22-21-16)18(24)20-10-12(11-23)8-15-2-1-7-25-15/h1-7,9,12,23H,8,10-11H2,(H,20,24)(H,21,22)
InChIKeyIDPSQCPRKSUWNU-UHFFFAOYSA-N
MW359.43 g/mol
LogP2.86
Rot. Bonds7

About 3-(4-fluorophenyl)-N-[2-(hydroxymethyl)-3-thiophen-2-ylpropyl]-1H-pyrazole-5-carboxamide

3-(4-fluorophenyl)-N-[2-(hydroxymethyl)-3-thiophen-2-ylpropyl]-1H-pyrazole-5-carboxamide (PubChem CID 74237965) has the molecular formula C18H18FN3O2S and a molecular weight of 359.43 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-[2-(hydroxymethyl)-3-thiophen-2-ylpropyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-[2-(hydroxymethyl)-3-thiophen-2-ylpropyl]-1H-pyrazole-5-carboxamide
PubChem CID74237965
Molecular FormulaC18H18FN3O2S
Molecular Weight359.43 g/mol
Exact Mass359.11
IUPAC Name3-(4-fluorophenyl)-N-[2-(hydroxymethyl)-3-thiophen-2-ylpropyl]-1H-pyrazole-5-carboxamide
SMILESO=C(NCC(CO)Cc1cccs1)c1cc(-c2ccc(F)cc2)n[nH]1
InChIInChI=1S/C18H18FN3O2S/c19-14-5-3-13(4-6-14)16-9-17(22-21-16)18(24)20-10-12(11-23)8-15-2-1-7-25-15/h1-7,9,12,23H,8,10-11H2,(H,20,24)(H,21,22)
InChIKeyIDPSQCPRKSUWNU-UHFFFAOYSA-N
XLogP2.86
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-fluorophenyl)methyl]-5-(4-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide
CID 49790776
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-(4-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide
CID 49795478
3-(4-fluoro-2-methylphenyl)-N-(thiophen-2-ylmethyl)-1H-pyrazole-5-carboxamide
CID 49795849
N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-2-(trifluoromethyl)benzamide
CID 156565670
4-(3-fluorophenyl)-3-thiophen-2-yl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one
CID 20854737
1-[3-(thiophen-2-yl)-1H-pyrazole-5-carbonyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 49676923
4-(3,5-dimethylpyrazol-1-yl)-N-[2-(hydroxymethyl)-3-thiophen-2-ylpropyl]benzamide
CID 70738894
3-(4-fluorophenyl)-1-methyl-N-((4-(thiophen-2-yl)tetrahydro-2H-pyran-4-yl)methyl)-1H-pyrazole-5-carboxamide
CID 71796615
3-(4-fluorophenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-1-methyl-1H-pyrazole-5-carboxamide
CID 71796691
5-(5-methylthiophen-2-yl)-N-(oxolan-3-ylmethyl)-1H-pyrazole-3-carboxamide
CID 71896699
(3-(4-fluorophenyl)azepan-1-yl)(3-(thiophen-2-yl)-1H-pyrazol-5-yl)methanone
CID 76147190
N-(2-fluorophenyl)-3-(1-(thiophene-2-carbonyl)piperidin-4-yl)-1H-pyrazole-5-carboxamide
CID 91628906

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-[2-(hydroxymethyl)-3-thiophen-2-ylpropyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-N-[2-(hydroxymethyl)-3-thiophen-2-ylpropyl]-1H-pyrazole-5-carboxamide (CID 74237965) is 3-(4-fluorophenyl)-N-[2-(hydroxymethyl)-3-thiophen-2-ylpropyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-[2-(hydroxymethyl)-3-thiophen-2-ylpropyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-[2-(hydroxymethyl)-3-thiophen-2-ylpropyl]-1H-pyrazole-5-carboxamide is O=C(NCC(CO)Cc1cccs1)c1cc(-c2ccc(F)cc2)n[nH]1.
What is the InChIKey of 3-(4-fluorophenyl)-N-[2-(hydroxymethyl)-3-thiophen-2-ylpropyl]-1H-pyrazole-5-carboxamide?
The InChIKey is IDPSQCPRKSUWNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O2S/c19-14-5-3-13(4-6-14)16-9-17(22-21-16)18(24)20-10-12(11-23)8-15-2-1-7-25-15/h1-7,9,12,23H,8,10-11H2,(H,20,24)(H,21,22).
What are the key properties of 3-(4-fluorophenyl)-N-[2-(hydroxymethyl)-3-thiophen-2-ylpropyl]-1H-pyrazole-5-carboxamide?
3-(4-fluorophenyl)-N-[2-(hydroxymethyl)-3-thiophen-2-ylpropyl]-1H-pyrazole-5-carboxamide has a molecular weight of 359.43 g/mol, XLogP of 2.86, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-[2-(hydroxymethyl)-3-thiophen-2-ylpropyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 74237965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).