N-[4-fluoro-1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide;1-(2-fluorophenyl)-N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide

C36H27F5N8O2 — CID 159905460

IUPACN-[4-fluoro-1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide;1-(2-fluorophenyl)-N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide
SMILESO=C(Nc1ccn(-c2ccnc(F)c2)n1)C1(c2ccccc2F)CC1.O=C(Nc1nn(-c2ccnc(F)c2)cc1F)C1(c2ccccc2F)CC1
InChIInChI=1S/C18H13F3N4O.C18H14F2N4O/c19-13-4-2-1-3-12(13)18(6-7-18)17(26)23-16-14(20)10-25(24-16)11-5-8-22-15(21)9-11;19-14-4-2-1-3-13(14)18(7-8-18)17(25)22-16-6-10-24(23-16)12-5-9-21-15(20)11-12/h1-5,8-10H,6-7H2,(H,23,24,26);1-6,9-11H,7-8H2,(H,22,23,25)
InChIKeyNWNBFCDCFKLFBF-UHFFFAOYSA-N
MW698.66 g/mol
LogP6.57
Rot. Bonds8

About N-[4-fluoro-1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide;1-(2-fluorophenyl)-N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide

N-[4-fluoro-1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide;1-(2-fluorophenyl)-N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide (PubChem CID 159905460) has the molecular formula C36H27F5N8O2 and a molecular weight of 698.66 g/mol. Its IUPAC name is N-[4-fluoro-1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide;1-(2-fluorophenyl)-N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[4-fluoro-1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide;1-(2-fluorophenyl)-N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide
PubChem CID159905460
Molecular FormulaC36H27F5N8O2
Molecular Weight698.66 g/mol
Exact Mass698.22
IUPAC NameN-[4-fluoro-1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide;1-(2-fluorophenyl)-N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide
SMILESO=C(Nc1ccn(-c2ccnc(F)c2)n1)C1(c2ccccc2F)CC1.O=C(Nc1nn(-c2ccnc(F)c2)cc1F)C1(c2ccccc2F)CC1
InChIInChI=1S/C18H13F3N4O.C18H14F2N4O/c19-13-4-2-1-3-12(13)18(6-7-18)17(26)23-16-14(20)10-25(24-16)11-5-8-22-15(21)9-11;19-14-4-2-1-3-13(14)18(7-8-18)17(25)22-16-6-10-24(23-16)12-5-9-21-15(20)11-12/h1-5,8-10H,6-7H2,(H,23,24,26);1-6,9-11H,7-8H2,(H,22,23,25)
InChIKeyNWNBFCDCFKLFBF-UHFFFAOYSA-N
XLogP6.57
TPSA119.62 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500698.66
LogP ≤ 56.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

CID 15513074
CID 15513074
CID 69692723
CID 69692723
CID 118560466
CID 118560466
CID 134587945
CID 134587945
CID 134589086
CID 134589086
CID 134589161
CID 134589161
CID 134589164
CID 134589164
CID 134589224
CID 134589224
CID 134596862
CID 134596862
CID 134596870
CID 134596870
CID 135315749
CID 135315749
CID 168279371
CID 168279371

Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide;1-(2-fluorophenyl)-N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide?
The IUPAC name of N-[4-fluoro-1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide;1-(2-fluorophenyl)-N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide (CID 159905460) is N-[4-fluoro-1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide;1-(2-fluorophenyl)-N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for N-[4-fluoro-1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide;1-(2-fluorophenyl)-N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide?
The canonical SMILES for N-[4-fluoro-1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide;1-(2-fluorophenyl)-N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide is O=C(Nc1ccn(-c2ccnc(F)c2)n1)C1(c2ccccc2F)CC1.O=C(Nc1nn(-c2ccnc(F)c2)cc1F)C1(c2ccccc2F)CC1.
What is the InChIKey of N-[4-fluoro-1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide;1-(2-fluorophenyl)-N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide?
The InChIKey is NWNBFCDCFKLFBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N4O.C18H14F2N4O/c19-13-4-2-1-3-12(13)18(6-7-18)17(26)23-16-14(20)10-25(24-16)11-5-8-22-15(21)9-11;19-14-4-2-1-3-13(14)18(7-8-18)17(25)22-16-6-10-24(23-16)12-5-9-21-15(20)11-12/h1-5,8-10H,6-7H2,(H,23,24,26);1-6,9-11H,7-8H2,(H,22,23,25).
What are the key properties of N-[4-fluoro-1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide;1-(2-fluorophenyl)-N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide?
N-[4-fluoro-1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide;1-(2-fluorophenyl)-N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide has a molecular weight of 698.66 g/mol, XLogP of 6.57, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide;1-(2-fluorophenyl)-N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 159905460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).