N-[4-fluoro-1-(5-fluoro-3-pyridinyl)pyrazol-3-yl]-1-phenylcyclopropane-1-carboxamide;N-[1-(5-fluoro-3-pyridinyl)pyrazol-3-yl]-1-phenylcyclopropane-1-carboxamide

C36H29F3N8O2 — CID 158844935

IUPACN-[4-fluoro-1-(5-fluoro-3-pyridinyl)pyrazol-3-yl]-1-phenylcyclopropane-1-carboxamide;N-[1-(5-fluoro-3-pyridinyl)pyrazol-3-yl]-1-phenylcyclopropane-1-carboxamide
SMILESO=C(Nc1ccn(-c2cncc(F)c2)n1)C1(c2ccccc2)CC1.O=C(Nc1nn(-c2cncc(F)c2)cc1F)C1(c2ccccc2)CC1
InChIInChI=1S/C18H14F2N4O.C18H15FN4O/c19-13-8-14(10-21-9-13)24-11-15(20)16(23-24)22-17(25)18(6-7-18)12-4-2-1-3-5-12;19-14-10-15(12-20-11-14)23-9-6-16(22-23)21-17(24)18(7-8-18)13-4-2-1-3-5-13/h1-5,8-11H,6-7H2,(H,22,23,25);1-6,9-12H,7-8H2,(H,21,22,24)
InChIKeyIYRYWQVNFSHTPC-UHFFFAOYSA-N
MW662.68 g/mol
LogP6.29
Rot. Bonds8

About N-[4-fluoro-1-(5-fluoro-3-pyridinyl)pyrazol-3-yl]-1-phenylcyclopropane-1-carboxamide;N-[1-(5-fluoro-3-pyridinyl)pyrazol-3-yl]-1-phenylcyclopropane-1-carboxamide

N-[4-fluoro-1-(5-fluoro-3-pyridinyl)pyrazol-3-yl]-1-phenylcyclopropane-1-carboxamide;N-[1-(5-fluoro-3-pyridinyl)pyrazol-3-yl]-1-phenylcyclopropane-1-carboxamide (PubChem CID 158844935) has the molecular formula C36H29F3N8O2 and a molecular weight of 662.68 g/mol. Its IUPAC name is N-[4-fluoro-1-(5-fluoro-3-pyridinyl)pyrazol-3-yl]-1-phenylcyclopropane-1-carboxamide;N-[1-(5-fluoro-3-pyridinyl)pyrazol-3-yl]-1-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[4-fluoro-1-(5-fluoro-3-pyridinyl)pyrazol-3-yl]-1-phenylcyclopropane-1-carboxamide;N-[1-(5-fluoro-3-pyridinyl)pyrazol-3-yl]-1-phenylcyclopropane-1-carboxamide
PubChem CID158844935
Molecular FormulaC36H29F3N8O2
Molecular Weight662.68 g/mol
Exact Mass662.24
IUPAC NameN-[4-fluoro-1-(5-fluoro-3-pyridinyl)pyrazol-3-yl]-1-phenylcyclopropane-1-carboxamide;N-[1-(5-fluoro-3-pyridinyl)pyrazol-3-yl]-1-phenylcyclopropane-1-carboxamide
SMILESO=C(Nc1ccn(-c2cncc(F)c2)n1)C1(c2ccccc2)CC1.O=C(Nc1nn(-c2cncc(F)c2)cc1F)C1(c2ccccc2)CC1
InChIInChI=1S/C18H14F2N4O.C18H15FN4O/c19-13-8-14(10-21-9-13)24-11-15(20)16(23-24)22-17(25)18(6-7-18)12-4-2-1-3-5-12;19-14-10-15(12-20-11-14)23-9-6-16(22-23)21-17(24)18(7-8-18)13-4-2-1-3-5-13/h1-5,8-11H,6-7H2,(H,22,23,25);1-6,9-12H,7-8H2,(H,21,22,24)
InChIKeyIYRYWQVNFSHTPC-UHFFFAOYSA-N
XLogP6.29
TPSA119.62 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500662.68
LogP ≤ 56.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-1-(5-fluoro-3-pyridinyl)pyrazol-3-yl]-1-phenylcyclopropane-1-carboxamide;N-[1-(5-fluoro-3-pyridinyl)pyrazol-3-yl]-1-phenylcyclopropane-1-carboxamide?
The IUPAC name of N-[4-fluoro-1-(5-fluoro-3-pyridinyl)pyrazol-3-yl]-1-phenylcyclopropane-1-carboxamide;N-[1-(5-fluoro-3-pyridinyl)pyrazol-3-yl]-1-phenylcyclopropane-1-carboxamide (CID 158844935) is N-[4-fluoro-1-(5-fluoro-3-pyridinyl)pyrazol-3-yl]-1-phenylcyclopropane-1-carboxamide;N-[1-(5-fluoro-3-pyridinyl)pyrazol-3-yl]-1-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[4-fluoro-1-(5-fluoro-3-pyridinyl)pyrazol-3-yl]-1-phenylcyclopropane-1-carboxamide;N-[1-(5-fluoro-3-pyridinyl)pyrazol-3-yl]-1-phenylcyclopropane-1-carboxamide?
The canonical SMILES for N-[4-fluoro-1-(5-fluoro-3-pyridinyl)pyrazol-3-yl]-1-phenylcyclopropane-1-carboxamide;N-[1-(5-fluoro-3-pyridinyl)pyrazol-3-yl]-1-phenylcyclopropane-1-carboxamide is O=C(Nc1ccn(-c2cncc(F)c2)n1)C1(c2ccccc2)CC1.O=C(Nc1nn(-c2cncc(F)c2)cc1F)C1(c2ccccc2)CC1.
What is the InChIKey of N-[4-fluoro-1-(5-fluoro-3-pyridinyl)pyrazol-3-yl]-1-phenylcyclopropane-1-carboxamide;N-[1-(5-fluoro-3-pyridinyl)pyrazol-3-yl]-1-phenylcyclopropane-1-carboxamide?
The InChIKey is IYRYWQVNFSHTPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N4O.C18H15FN4O/c19-13-8-14(10-21-9-13)24-11-15(20)16(23-24)22-17(25)18(6-7-18)12-4-2-1-3-5-12;19-14-10-15(12-20-11-14)23-9-6-16(22-23)21-17(24)18(7-8-18)13-4-2-1-3-5-13/h1-5,8-11H,6-7H2,(H,22,23,25);1-6,9-12H,7-8H2,(H,21,22,24).
What are the key properties of N-[4-fluoro-1-(5-fluoro-3-pyridinyl)pyrazol-3-yl]-1-phenylcyclopropane-1-carboxamide;N-[1-(5-fluoro-3-pyridinyl)pyrazol-3-yl]-1-phenylcyclopropane-1-carboxamide?
N-[4-fluoro-1-(5-fluoro-3-pyridinyl)pyrazol-3-yl]-1-phenylcyclopropane-1-carboxamide;N-[1-(5-fluoro-3-pyridinyl)pyrazol-3-yl]-1-phenylcyclopropane-1-carboxamide has a molecular weight of 662.68 g/mol, XLogP of 6.29, 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-(5-fluoro-3-pyridinyl)pyrazol-3-yl]-1-phenylcyclopropane-1-carboxamide;N-[1-(5-fluoro-3-pyridinyl)pyrazol-3-yl]-1-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 158844935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).