3-(4-fluorophenyl)-1-methyl-N-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)pyrazole-5-carboxamide

C20H18FN5OS — CID 122161477

IUPAC3-(4-fluorophenyl)-1-methyl-N-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)pyrazole-5-carboxamide
SMILESCn1nc(-c2ccc(F)cc2)cc1C(=O)NCC(c1ccsc1)n1cccn1
InChIInChI=1S/C20H18FN5OS/c1-25-18(11-17(24-25)14-3-5-16(21)6-4-14)20(27)22-12-19(15-7-10-28-13-15)26-9-2-8-23-26/h2-11,13,19H,12H2,1H3,(H,22,27)
InChIKeyKFXQFYDAWTXQDO-UHFFFAOYSA-N
MW395.46 g/mol
LogP3.50
Rot. Bonds6

About 3-(4-fluorophenyl)-1-methyl-N-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)pyrazole-5-carboxamide

3-(4-fluorophenyl)-1-methyl-N-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)pyrazole-5-carboxamide (PubChem CID 122161477) has the molecular formula C20H18FN5OS and a molecular weight of 395.46 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1-methyl-N-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-1-methyl-N-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)pyrazole-5-carboxamide
PubChem CID122161477
Molecular FormulaC20H18FN5OS
Molecular Weight395.46 g/mol
Exact Mass395.12
IUPAC Name3-(4-fluorophenyl)-1-methyl-N-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)pyrazole-5-carboxamide
SMILESCn1nc(-c2ccc(F)cc2)cc1C(=O)NCC(c1ccsc1)n1cccn1
InChIInChI=1S/C20H18FN5OS/c1-25-18(11-17(24-25)14-3-5-16(21)6-4-14)20(27)22-12-19(15-7-10-28-13-15)26-9-2-8-23-26/h2-11,13,19H,12H2,1H3,(H,22,27)
InChIKeyKFXQFYDAWTXQDO-UHFFFAOYSA-N
XLogP3.50
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethyl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide
CID 122264747
3-(4-fluorophenyl)-1-methyl-N-(thiophen-2-ylmethyl)pyrazole-5-carboxamide
CID 121083917
3-(4-fluorophenyl)-N-[2-(furan-2-yl)-2-thiophen-2-ylethyl]-1-methylpyrazole-5-carboxamide
CID 126854749
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CID 131703935
3-(3-fluorophenyl)-1-methyl-N-(2-methylpropyl)pyrazole-5-carboxamide
CID 46705133
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide
CID 90613430
N-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide
CID 86266307
3-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)-1H-pyrazole-5-carboxamide
CID 111441740
2,6-difluoro-N-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)benzenesulfonamide
CID 122161499
3-(4-fluorophenyl)-1-methyl-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide
CID 42758604
N-[(2R)-2-(2-chlorophenyl)-2-methoxyethyl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide
CID 99876147
4-ethyl-2,3-dioxo-N-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)piperazine-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-1-methyl-N-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)pyrazole-5-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-1-methyl-N-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)pyrazole-5-carboxamide (CID 122161477) is 3-(4-fluorophenyl)-1-methyl-N-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-1-methyl-N-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)pyrazole-5-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-1-methyl-N-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)pyrazole-5-carboxamide is Cn1nc(-c2ccc(F)cc2)cc1C(=O)NCC(c1ccsc1)n1cccn1.
What is the InChIKey of 3-(4-fluorophenyl)-1-methyl-N-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)pyrazole-5-carboxamide?
The InChIKey is KFXQFYDAWTXQDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5OS/c1-25-18(11-17(24-25)14-3-5-16(21)6-4-14)20(27)22-12-19(15-7-10-28-13-15)26-9-2-8-23-26/h2-11,13,19H,12H2,1H3,(H,22,27).
What are the key properties of 3-(4-fluorophenyl)-1-methyl-N-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)pyrazole-5-carboxamide?
3-(4-fluorophenyl)-1-methyl-N-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)pyrazole-5-carboxamide has a molecular weight of 395.46 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-1-methyl-N-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 122161477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).