N-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide

C23H22FN5OS — CID 86266307

IUPACN-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide
SMILESCn1nc(-c2ccc(F)cc2)cc1C(=O)NCCn1nc(-c2ccsc2)cc1C1CC1
InChIInChI=1S/C23H22FN5OS/c1-28-22(13-19(26-28)15-4-6-18(24)7-5-15)23(30)25-9-10-29-21(16-2-3-16)12-20(27-29)17-8-11-31-14-17/h4-8,11-14,16H,2-3,9-10H2,1H3,(H,25,30)
InChIKeyPBSOOABDGOKEOF-UHFFFAOYSA-N
MW435.53 g/mol
LogP4.46
Rot. Bonds7

About N-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide

N-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide (PubChem CID 86266307) has the molecular formula C23H22FN5OS and a molecular weight of 435.53 g/mol. Its IUPAC name is N-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide
PubChem CID86266307
Molecular FormulaC23H22FN5OS
Molecular Weight435.53 g/mol
Exact Mass435.15
IUPAC NameN-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide
SMILESCn1nc(-c2ccc(F)cc2)cc1C(=O)NCCn1nc(-c2ccsc2)cc1C1CC1
InChIInChI=1S/C23H22FN5OS/c1-28-22(13-19(26-28)15-4-6-18(24)7-5-15)23(30)25-9-10-29-21(16-2-3-16)12-20(27-29)17-8-11-31-14-17/h4-8,11-14,16H,2-3,9-10H2,1H3,(H,25,30)
InChIKeyPBSOOABDGOKEOF-UHFFFAOYSA-N
XLogP4.46
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-N-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]thiophene-2-carboxamide
CID 91629207
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CID 86266319
N-[2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide
CID 71797087
N-[2-(5-cyclopropyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]thiophene-3-carboxamide
CID 72718613
3-(4-fluorophenyl)-1-methyl-N-[2-(2-oxopyrimidin-1-yl)ethyl]pyrazole-5-carboxamide
CID 131703935
N-cyclopropyl-1-ethyl-3-thiophen-3-ylpyrazole-5-carboxamide
CID 42879294
N-[2-(5-fluoro-1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)ethyl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide
CID 122243960
3-(4-fluorophenyl)-1-methyl-N-(2-pyrazol-1-yl-2-thiophen-3-ylethyl)pyrazole-5-carboxamide
CID 122161477
3-(4-fluorophenyl)-1-methyl-N-(thiophen-2-ylmethyl)pyrazole-5-carboxamide
CID 121083917
N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-2,4-difluorobenzamide
CID 121139208
N-butan-2-yl-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide
CID 42758555
N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-4-fluorobenzamide
CID 122277818

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide?
The IUPAC name of N-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide (CID 86266307) is N-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for N-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide?
The canonical SMILES for N-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide is Cn1nc(-c2ccc(F)cc2)cc1C(=O)NCCn1nc(-c2ccsc2)cc1C1CC1.
What is the InChIKey of N-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide?
The InChIKey is PBSOOABDGOKEOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN5OS/c1-28-22(13-19(26-28)15-4-6-18(24)7-5-15)23(30)25-9-10-29-21(16-2-3-16)12-20(27-29)17-8-11-31-14-17/h4-8,11-14,16H,2-3,9-10H2,1H3,(H,25,30).
What are the key properties of N-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide?
N-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide has a molecular weight of 435.53 g/mol, XLogP of 4.46, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-cyclopropyl-3-thiophen-3-ylpyrazol-1-yl)ethyl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 86266307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).