N-[(3,4-difluorophenyl)methyl]-3-[4-(6-oxo-1H-pyridin-3-yl)-1H-pyrazol-5-yl]-1H-pyrazole-5-carboxamide

C19H14F2N6O2 — CID 135611765

IUPACN-[(3,4-difluorophenyl)methyl]-3-[4-(6-oxo-1H-pyridin-3-yl)-1H-pyrazol-5-yl]-1H-pyrazole-5-carboxamide
SMILESO=C(NCc1ccc(F)c(F)c1)c1cc(-c2[nH]ncc2-c2ccc(=O)[nH]c2)n[nH]1
InChIInChI=1S/C19H14F2N6O2/c20-13-3-1-10(5-14(13)21)7-23-19(29)16-6-15(25-26-16)18-12(9-24-27-18)11-2-4-17(28)22-8-11/h1-6,8-9H,7H2,(H,22,28)(H,23,29)(H,24,27)(H,25,26)
InChIKeySIYKAWANCZRBET-UHFFFAOYSA-N
MW396.36 g/mol
LogP2.36
Rot. Bonds5

About N-[(3,4-difluorophenyl)methyl]-3-[4-(6-oxo-1H-pyridin-3-yl)-1H-pyrazol-5-yl]-1H-pyrazole-5-carboxamide

N-[(3,4-difluorophenyl)methyl]-3-[4-(6-oxo-1H-pyridin-3-yl)-1H-pyrazol-5-yl]-1H-pyrazole-5-carboxamide (PubChem CID 135611765) has the molecular formula C19H14F2N6O2 and a molecular weight of 396.36 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)methyl]-3-[4-(6-oxo-1H-pyridin-3-yl)-1H-pyrazol-5-yl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3,4-difluorophenyl)methyl]-3-[4-(6-oxo-1H-pyridin-3-yl)-1H-pyrazol-5-yl]-1H-pyrazole-5-carboxamide
PubChem CID135611765
Molecular FormulaC19H14F2N6O2
Molecular Weight396.36 g/mol
Exact Mass396.11
IUPAC NameN-[(3,4-difluorophenyl)methyl]-3-[4-(6-oxo-1H-pyridin-3-yl)-1H-pyrazol-5-yl]-1H-pyrazole-5-carboxamide
SMILESO=C(NCc1ccc(F)c(F)c1)c1cc(-c2[nH]ncc2-c2ccc(=O)[nH]c2)n[nH]1
InChIInChI=1S/C19H14F2N6O2/c20-13-3-1-10(5-14(13)21)7-23-19(29)16-6-15(25-26-16)18-12(9-24-27-18)11-2-4-17(28)22-8-11/h1-6,8-9H,7H2,(H,22,28)(H,23,29)(H,24,27)(H,25,26)
InChIKeySIYKAWANCZRBET-UHFFFAOYSA-N
XLogP2.36
TPSA119.32 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.36
LogP ≤ 52.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-difluorophenyl)methyl]-3-[4-(6-oxo-1H-pyridin-3-yl)-1H-pyrazol-5-yl]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[(3,4-difluorophenyl)methyl]-3-[4-(6-oxo-1H-pyridin-3-yl)-1H-pyrazol-5-yl]-1H-pyrazole-5-carboxamide (CID 135611765) is N-[(3,4-difluorophenyl)methyl]-3-[4-(6-oxo-1H-pyridin-3-yl)-1H-pyrazol-5-yl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[(3,4-difluorophenyl)methyl]-3-[4-(6-oxo-1H-pyridin-3-yl)-1H-pyrazol-5-yl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[(3,4-difluorophenyl)methyl]-3-[4-(6-oxo-1H-pyridin-3-yl)-1H-pyrazol-5-yl]-1H-pyrazole-5-carboxamide is O=C(NCc1ccc(F)c(F)c1)c1cc(-c2[nH]ncc2-c2ccc(=O)[nH]c2)n[nH]1.
What is the InChIKey of N-[(3,4-difluorophenyl)methyl]-3-[4-(6-oxo-1H-pyridin-3-yl)-1H-pyrazol-5-yl]-1H-pyrazole-5-carboxamide?
The InChIKey is SIYKAWANCZRBET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2N6O2/c20-13-3-1-10(5-14(13)21)7-23-19(29)16-6-15(25-26-16)18-12(9-24-27-18)11-2-4-17(28)22-8-11/h1-6,8-9H,7H2,(H,22,28)(H,23,29)(H,24,27)(H,25,26).
What are the key properties of N-[(3,4-difluorophenyl)methyl]-3-[4-(6-oxo-1H-pyridin-3-yl)-1H-pyrazol-5-yl]-1H-pyrazole-5-carboxamide?
N-[(3,4-difluorophenyl)methyl]-3-[4-(6-oxo-1H-pyridin-3-yl)-1H-pyrazol-5-yl]-1H-pyrazole-5-carboxamide has a molecular weight of 396.36 g/mol, XLogP of 2.36, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-difluorophenyl)methyl]-3-[4-(6-oxo-1H-pyridin-3-yl)-1H-pyrazol-5-yl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 135611765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).