N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]-1-(oxan-4-ylmethyl)pyrazole-4-carboxamide

C19H19F2N5O2 — CID 166311340

IUPACN-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]-1-(oxan-4-ylmethyl)pyrazole-4-carboxamide
SMILESO=C(Nc1cc(-c2cc(F)cc(F)c2)[nH]n1)c1cnn(CC2CCOCC2)c1
InChIInChI=1S/C19H19F2N5O2/c20-15-5-13(6-16(21)7-15)17-8-18(25-24-17)23-19(27)14-9-22-26(11-14)10-12-1-3-28-4-2-12/h5-9,11-12H,1-4,10H2,(H2,23,24,25,27)
InChIKeyHNUICMLXTKVORQ-UHFFFAOYSA-N
MW387.39 g/mol
LogP3.23
Rot. Bonds5

About N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]-1-(oxan-4-ylmethyl)pyrazole-4-carboxamide

N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]-1-(oxan-4-ylmethyl)pyrazole-4-carboxamide (PubChem CID 166311340) has the molecular formula C19H19F2N5O2 and a molecular weight of 387.39 g/mol. Its IUPAC name is N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]-1-(oxan-4-ylmethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]-1-(oxan-4-ylmethyl)pyrazole-4-carboxamide
PubChem CID166311340
Molecular FormulaC19H19F2N5O2
Molecular Weight387.39 g/mol
Exact Mass387.15
IUPAC NameN-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]-1-(oxan-4-ylmethyl)pyrazole-4-carboxamide
SMILESO=C(Nc1cc(-c2cc(F)cc(F)c2)[nH]n1)c1cnn(CC2CCOCC2)c1
InChIInChI=1S/C19H19F2N5O2/c20-15-5-13(6-16(21)7-15)17-8-18(25-24-17)23-19(27)14-9-22-26(11-14)10-12-1-3-28-4-2-12/h5-9,11-12H,1-4,10H2,(H2,23,24,25,27)
InChIKeyHNUICMLXTKVORQ-UHFFFAOYSA-N
XLogP3.23
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.39
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]-1-(oxan-4-ylmethyl)pyrazole-4-carboxamide?
The IUPAC name of N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]-1-(oxan-4-ylmethyl)pyrazole-4-carboxamide (CID 166311340) is N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]-1-(oxan-4-ylmethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]-1-(oxan-4-ylmethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]-1-(oxan-4-ylmethyl)pyrazole-4-carboxamide is O=C(Nc1cc(-c2cc(F)cc(F)c2)[nH]n1)c1cnn(CC2CCOCC2)c1.
What is the InChIKey of N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]-1-(oxan-4-ylmethyl)pyrazole-4-carboxamide?
The InChIKey is HNUICMLXTKVORQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N5O2/c20-15-5-13(6-16(21)7-15)17-8-18(25-24-17)23-19(27)14-9-22-26(11-14)10-12-1-3-28-4-2-12/h5-9,11-12H,1-4,10H2,(H2,23,24,25,27).
What are the key properties of N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]-1-(oxan-4-ylmethyl)pyrazole-4-carboxamide?
N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]-1-(oxan-4-ylmethyl)pyrazole-4-carboxamide has a molecular weight of 387.39 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]-1-(oxan-4-ylmethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 166311340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).