5-cyclopropyl-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-1H-pyrazole-3-carboxamide

C19H16F2N4O2 — CID 56739367

IUPAC5-cyclopropyl-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-1H-pyrazole-3-carboxamide
SMILESO=C(NCc1cccnc1Oc1ccc(F)cc1F)c1cc(C2CC2)[nH]n1
InChIInChI=1S/C19H16F2N4O2/c20-13-5-6-17(14(21)8-13)27-19-12(2-1-7-22-19)10-23-18(26)16-9-15(24-25-16)11-3-4-11/h1-2,5-9,11H,3-4,10H2,(H,23,26)(H,24,25)
InChIKeyDSYNMZZNHKNXPP-UHFFFAOYSA-N
MW370.36 g/mol
LogP3.68
Rot. Bonds6

About 5-cyclopropyl-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-1H-pyrazole-3-carboxamide

5-cyclopropyl-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-1H-pyrazole-3-carboxamide (PubChem CID 56739367) has the molecular formula C19H16F2N4O2 and a molecular weight of 370.36 g/mol. Its IUPAC name is 5-cyclopropyl-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-1H-pyrazole-3-carboxamide
PubChem CID56739367
Molecular FormulaC19H16F2N4O2
Molecular Weight370.36 g/mol
Exact Mass370.12
IUPAC Name5-cyclopropyl-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-1H-pyrazole-3-carboxamide
SMILESO=C(NCc1cccnc1Oc1ccc(F)cc1F)c1cc(C2CC2)[nH]n1
InChIInChI=1S/C19H16F2N4O2/c20-13-5-6-17(14(21)8-13)27-19-12(2-1-7-22-19)10-23-18(26)16-9-15(24-25-16)11-3-4-11/h1-2,5-9,11H,3-4,10H2,(H,23,26)(H,24,25)
InChIKeyDSYNMZZNHKNXPP-UHFFFAOYSA-N
XLogP3.68
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.36
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-1H-pyrazole-3-carboxamide (CID 56739367) is 5-cyclopropyl-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-1H-pyrazole-3-carboxamide is O=C(NCc1cccnc1Oc1ccc(F)cc1F)c1cc(C2CC2)[nH]n1.
What is the InChIKey of 5-cyclopropyl-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-1H-pyrazole-3-carboxamide?
The InChIKey is DSYNMZZNHKNXPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N4O2/c20-13-5-6-17(14(21)8-13)27-19-12(2-1-7-22-19)10-23-18(26)16-9-15(24-25-16)11-3-4-11/h1-2,5-9,11H,3-4,10H2,(H,23,26)(H,24,25).
What are the key properties of 5-cyclopropyl-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-1H-pyrazole-3-carboxamide?
5-cyclopropyl-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-1H-pyrazole-3-carboxamide has a molecular weight of 370.36 g/mol, XLogP of 3.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 56739367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).