N-[1-(3,5-difluorophenyl)pyrazol-3-yl]-1-pyrimidin-2-ylcyclopropane-1-carboxamide

C17H13F2N5O — CID 134596548

IUPACN-[1-(3,5-difluorophenyl)pyrazol-3-yl]-1-pyrimidin-2-ylcyclopropane-1-carboxamide
SMILESO=C(Nc1ccn(-c2cc(F)cc(F)c2)n1)C1(c2ncccn2)CC1
InChIInChI=1S/C17H13F2N5O/c18-11-8-12(19)10-13(9-11)24-7-2-14(23-24)22-16(25)17(3-4-17)15-20-5-1-6-21-15/h1-2,5-10H,3-4H2,(H,22,23,25)
InChIKeySLEYFSRVJIOMPB-UHFFFAOYSA-N
MW341.32 g/mol
LogP2.61
Rot. Bonds4

About N-[1-(3,5-difluorophenyl)pyrazol-3-yl]-1-pyrimidin-2-ylcyclopropane-1-carboxamide

N-[1-(3,5-difluorophenyl)pyrazol-3-yl]-1-pyrimidin-2-ylcyclopropane-1-carboxamide (PubChem CID 134596548) has the molecular formula C17H13F2N5O and a molecular weight of 341.32 g/mol. Its IUPAC name is N-[1-(3,5-difluorophenyl)pyrazol-3-yl]-1-pyrimidin-2-ylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[1-(3,5-difluorophenyl)pyrazol-3-yl]-1-pyrimidin-2-ylcyclopropane-1-carboxamide
PubChem CID134596548
Molecular FormulaC17H13F2N5O
Molecular Weight341.32 g/mol
Exact Mass341.11
IUPAC NameN-[1-(3,5-difluorophenyl)pyrazol-3-yl]-1-pyrimidin-2-ylcyclopropane-1-carboxamide
SMILESO=C(Nc1ccn(-c2cc(F)cc(F)c2)n1)C1(c2ncccn2)CC1
InChIInChI=1S/C17H13F2N5O/c18-11-8-12(19)10-13(9-11)24-7-2-14(23-24)22-16(25)17(3-4-17)15-20-5-1-6-21-15/h1-2,5-10H,3-4H2,(H,22,23,25)
InChIKeySLEYFSRVJIOMPB-UHFFFAOYSA-N
XLogP2.61
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.32
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(4-fluorophenyl)pyrazol-3-yl]-1-pyrimidin-2-ylcyclopropane-1-carboxamide
CID 134596341
1-(4-fluorophenyl)-N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide
CID 134596195
1-(2,6-difluorophenyl)-N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide
CID 135315896
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-(5-fluoro-3-pyridinyl)pyrazol-3-yl]-1-phenylcyclopropane-1-carboxamide
CID 134589086
N-[1-(3,4-difluorophenyl)pyrazol-3-yl]-1-thiophen-2-ylcyclopropane-1-carboxamide
CID 134596880
1-(4-ethoxyphenyl)-N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide
CID 134596083
1-(2-fluorophenyl)-N-[1-[2-(2,2,2-trifluoro-1-hydroxyethyl)-4-pyridinyl]pyrazol-3-yl]cyclopropane-1-carboxamide
CID 134596476
1-phenyl-N-(1-pyrimidin-5-ylpyrazol-3-yl)cyclopropane-1-carboxamide
CID 134596279
1-(2-fluorophenyl)-N-[1-(1,3-thiazol-2-yl)pyrazol-3-yl]cyclopropane-1-carboxamide
CID 134589053
1-(2-fluorophenyl)-N-(1-pyrimidin-4-ylpyrazol-3-yl)cyclopropane-1-carboxamide
CID 134588837

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-difluorophenyl)pyrazol-3-yl]-1-pyrimidin-2-ylcyclopropane-1-carboxamide?
The IUPAC name of N-[1-(3,5-difluorophenyl)pyrazol-3-yl]-1-pyrimidin-2-ylcyclopropane-1-carboxamide (CID 134596548) is N-[1-(3,5-difluorophenyl)pyrazol-3-yl]-1-pyrimidin-2-ylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[1-(3,5-difluorophenyl)pyrazol-3-yl]-1-pyrimidin-2-ylcyclopropane-1-carboxamide?
The canonical SMILES for N-[1-(3,5-difluorophenyl)pyrazol-3-yl]-1-pyrimidin-2-ylcyclopropane-1-carboxamide is O=C(Nc1ccn(-c2cc(F)cc(F)c2)n1)C1(c2ncccn2)CC1.
What is the InChIKey of N-[1-(3,5-difluorophenyl)pyrazol-3-yl]-1-pyrimidin-2-ylcyclopropane-1-carboxamide?
The InChIKey is SLEYFSRVJIOMPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2N5O/c18-11-8-12(19)10-13(9-11)24-7-2-14(23-24)22-16(25)17(3-4-17)15-20-5-1-6-21-15/h1-2,5-10H,3-4H2,(H,22,23,25).
What are the key properties of N-[1-(3,5-difluorophenyl)pyrazol-3-yl]-1-pyrimidin-2-ylcyclopropane-1-carboxamide?
N-[1-(3,5-difluorophenyl)pyrazol-3-yl]-1-pyrimidin-2-ylcyclopropane-1-carboxamide has a molecular weight of 341.32 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-difluorophenyl)pyrazol-3-yl]-1-pyrimidin-2-ylcyclopropane-1-carboxamide is sourced from PubChem (CID 134596548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).