N-[1-(3,4-difluorophenyl)pyrazol-3-yl]-1-thiophen-2-ylcyclopropane-1-carboxamide

C17H13F2N3OS — CID 134596880

IUPACN-[1-(3,4-difluorophenyl)pyrazol-3-yl]-1-thiophen-2-ylcyclopropane-1-carboxamide
SMILESO=C(Nc1ccn(-c2ccc(F)c(F)c2)n1)C1(c2cccs2)CC1
InChIInChI=1S/C17H13F2N3OS/c18-12-4-3-11(10-13(12)19)22-8-5-15(21-22)20-16(23)17(6-7-17)14-2-1-9-24-14/h1-5,8-10H,6-7H2,(H,20,21,23)
InChIKeyHCSHHMSIIKLOSP-UHFFFAOYSA-N
MW345.37 g/mol
LogP3.88
Rot. Bonds4

About N-[1-(3,4-difluorophenyl)pyrazol-3-yl]-1-thiophen-2-ylcyclopropane-1-carboxamide

N-[1-(3,4-difluorophenyl)pyrazol-3-yl]-1-thiophen-2-ylcyclopropane-1-carboxamide (PubChem CID 134596880) has the molecular formula C17H13F2N3OS and a molecular weight of 345.37 g/mol. Its IUPAC name is N-[1-(3,4-difluorophenyl)pyrazol-3-yl]-1-thiophen-2-ylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[1-(3,4-difluorophenyl)pyrazol-3-yl]-1-thiophen-2-ylcyclopropane-1-carboxamide
PubChem CID134596880
Molecular FormulaC17H13F2N3OS
Molecular Weight345.37 g/mol
Exact Mass345.07
IUPAC NameN-[1-(3,4-difluorophenyl)pyrazol-3-yl]-1-thiophen-2-ylcyclopropane-1-carboxamide
SMILESO=C(Nc1ccn(-c2ccc(F)c(F)c2)n1)C1(c2cccs2)CC1
InChIInChI=1S/C17H13F2N3OS/c18-12-4-3-11(10-13(12)19)22-8-5-15(21-22)20-16(23)17(6-7-17)14-2-1-9-24-14/h1-5,8-10H,6-7H2,(H,20,21,23)
InChIKeyHCSHHMSIIKLOSP-UHFFFAOYSA-N
XLogP3.88
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,6-difluorophenyl)-N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide
CID 135315896
N-[1-(4-fluorophenyl)pyrazol-3-yl]-1-pyrimidin-2-ylcyclopropane-1-carboxamide
CID 134596341
N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]-1-phenylcyclopropane-1-carboxamide
CID 134596485
1-(4-fluorophenyl)-N-(1-phenylpyrazol-3-yl)cyclopropane-1-carboxamide
CID 135315796
N-[1-(3,5-difluorophenyl)pyrazol-3-yl]-1-pyrimidin-2-ylcyclopropane-1-carboxamide
CID 134596548
N-[1-(5-fluoro-3-pyridinyl)pyrazol-3-yl]-1-phenylcyclopropane-1-carboxamide
CID 134589086
1-(4-fluorophenyl)-N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide
CID 134596195
1-(2-fluorophenyl)-N-[1-(1,3-thiazol-2-yl)pyrazol-3-yl]cyclopropane-1-carboxamide
CID 134589053
N-[1-(5-cyano-3-pyridinyl)pyrazol-3-yl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 134596540
N-(2-fluorophenyl)-1-thiophen-2-ylcyclopentane-1-carboxamide
CID 42435427
N-(2,4-difluorophenyl)-1-thiophen-2-ylcyclopentane-1-carboxamide
CID 42435435
1-(2-fluorophenyl)-N-[1-[2-(2,2,2-trifluoro-1-hydroxyethyl)-4-pyridinyl]pyrazol-3-yl]cyclopropane-1-carboxamide
CID 134596476

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-difluorophenyl)pyrazol-3-yl]-1-thiophen-2-ylcyclopropane-1-carboxamide?
The IUPAC name of N-[1-(3,4-difluorophenyl)pyrazol-3-yl]-1-thiophen-2-ylcyclopropane-1-carboxamide (CID 134596880) is N-[1-(3,4-difluorophenyl)pyrazol-3-yl]-1-thiophen-2-ylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[1-(3,4-difluorophenyl)pyrazol-3-yl]-1-thiophen-2-ylcyclopropane-1-carboxamide?
The canonical SMILES for N-[1-(3,4-difluorophenyl)pyrazol-3-yl]-1-thiophen-2-ylcyclopropane-1-carboxamide is O=C(Nc1ccn(-c2ccc(F)c(F)c2)n1)C1(c2cccs2)CC1.
What is the InChIKey of N-[1-(3,4-difluorophenyl)pyrazol-3-yl]-1-thiophen-2-ylcyclopropane-1-carboxamide?
The InChIKey is HCSHHMSIIKLOSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2N3OS/c18-12-4-3-11(10-13(12)19)22-8-5-15(21-22)20-16(23)17(6-7-17)14-2-1-9-24-14/h1-5,8-10H,6-7H2,(H,20,21,23).
What are the key properties of N-[1-(3,4-difluorophenyl)pyrazol-3-yl]-1-thiophen-2-ylcyclopropane-1-carboxamide?
N-[1-(3,4-difluorophenyl)pyrazol-3-yl]-1-thiophen-2-ylcyclopropane-1-carboxamide has a molecular weight of 345.37 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-difluorophenyl)pyrazol-3-yl]-1-thiophen-2-ylcyclopropane-1-carboxamide is sourced from PubChem (CID 134596880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).