N-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]-N-propan-2-yl-1H-pyrazole-5-carboxamide

C18H18FN3OS — CID 71885524

IUPACN-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]-N-propan-2-yl-1H-pyrazole-5-carboxamide
SMILESCC(C)N(Cc1ccc(-c2cccc(F)c2)s1)C(=O)c1ccn[nH]1
InChIInChI=1S/C18H18FN3OS/c1-12(2)22(18(23)16-8-9-20-21-16)11-15-6-7-17(24-15)13-4-3-5-14(19)10-13/h3-10,12H,11H2,1-2H3,(H,20,21)
InChIKeyUSXNEMUAAPVQGA-UHFFFAOYSA-N
MW343.43 g/mol
LogP4.33
Rot. Bonds5

About N-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]-N-propan-2-yl-1H-pyrazole-5-carboxamide

N-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]-N-propan-2-yl-1H-pyrazole-5-carboxamide (PubChem CID 71885524) has the molecular formula C18H18FN3OS and a molecular weight of 343.43 g/mol. Its IUPAC name is N-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]-N-propan-2-yl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]-N-propan-2-yl-1H-pyrazole-5-carboxamide
PubChem CID71885524
Molecular FormulaC18H18FN3OS
Molecular Weight343.43 g/mol
Exact Mass343.12
IUPAC NameN-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]-N-propan-2-yl-1H-pyrazole-5-carboxamide
SMILESCC(C)N(Cc1ccc(-c2cccc(F)c2)s1)C(=O)c1ccn[nH]1
InChIInChI=1S/C18H18FN3OS/c1-12(2)22(18(23)16-8-9-20-21-16)11-15-6-7-17(24-15)13-4-3-5-14(19)10-13/h3-10,12H,11H2,1-2H3,(H,20,21)
InChIKeyUSXNEMUAAPVQGA-UHFFFAOYSA-N
XLogP4.33
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-N-(3-{N-[(1-methyl-1H-pyrazol-3-yl)carbonyl]ethanehydrazonoyl}phenyl)-2-thiophenecarboxamide
CID 7308643
4-ethyl-N'-{[3-(4-fluorophenyl)-1H-pyrazol-4-yl]methylene}-5-methyl-3-thiophenecarbohydrazide
CID 135521407
6-(4-fluorophenyl)-3-methylsulfanyl-1-(1H-pyrazol-5-yl)-6,7-dihydro-5H-thieno[3,4-c]pyridin-4-one
CID 69048861
3-(5-methylthiophen-2-yl)-N'-[(1E,2E)-3-phenylprop-2-en-1-ylidene]-1H-pyrazole-5-carbohydrazide
CID 6864525
N'-[(1E,2E)-2-methyl-3-phenylprop-2-en-1-ylidene]-3-(thiophen-2-yl)-1H-pyrazole-5-carbohydrazide
CID 6866405
N'-[(1E,2E)-2-methyl-3-phenylprop-2-en-1-ylidene]-3-(5-methylthiophen-2-yl)-1H-pyrazole-5-carbohydrazide
CID 6867567
N-[(3S,4S)-4-(3-fluorophenyl)piperidin-3-yl]-5-(2-methylpyrazol-3-yl)thiophene-2-carboxamide;hydrochloride
CID 155518023
(3-methyl-2-thienyl)[1-(1H-pyrazol-3-ylmethyl)piperidin-3-yl]methanone
CID 16188542
6-(3-fluorophenyl)-3-methylsulfanyl-1-(1H-pyrazol-5-yl)-6,7-dihydro-5H-thieno[3,4-c]pyridin-4-one
CID 76514427
N-{2-[2-(4-Fluorophenyl)-4-oxo-4H,5H-pyrazolo[1,5-A]pyrazin-5-YL]ethyl}-5-methylthiophene-2-carboxamide
CID 91892644
N-[2-(2-methylbutan-2-ylamino)-2-oxo-1-thiophen-2-ylethyl]-N-phenyl-1H-pyrazole-5-carboxamide
CID 3216056
[4-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 24792095

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]-N-propan-2-yl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]-N-propan-2-yl-1H-pyrazole-5-carboxamide (CID 71885524) is N-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]-N-propan-2-yl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]-N-propan-2-yl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]-N-propan-2-yl-1H-pyrazole-5-carboxamide is CC(C)N(Cc1ccc(-c2cccc(F)c2)s1)C(=O)c1ccn[nH]1.
What is the InChIKey of N-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]-N-propan-2-yl-1H-pyrazole-5-carboxamide?
The InChIKey is USXNEMUAAPVQGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3OS/c1-12(2)22(18(23)16-8-9-20-21-16)11-15-6-7-17(24-15)13-4-3-5-14(19)10-13/h3-10,12H,11H2,1-2H3,(H,20,21).
What are the key properties of N-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]-N-propan-2-yl-1H-pyrazole-5-carboxamide?
N-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]-N-propan-2-yl-1H-pyrazole-5-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]-N-propan-2-yl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 71885524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).