1-phenyl-3-propan-2-yl-N-pyridin-3-ylpyrazole-5-carboxamide

C18H18N4O — CID 52898817

IUPAC1-phenyl-3-propan-2-yl-N-pyridin-3-ylpyrazole-5-carboxamide
SMILESCC(C)c1cc(C(=O)Nc2cccnc2)n(-c2ccccc2)n1
InChIInChI=1S/C18H18N4O/c1-13(2)16-11-17(18(23)20-14-7-6-10-19-12-14)22(21-16)15-8-4-3-5-9-15/h3-13H,1-2H3,(H,20,23)
InChIKeyKQXJAILVUHUYDG-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.64
Rot. Bonds4

About 1-phenyl-3-propan-2-yl-N-pyridin-3-ylpyrazole-5-carboxamide

1-phenyl-3-propan-2-yl-N-pyridin-3-ylpyrazole-5-carboxamide (PubChem CID 52898817) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is 1-phenyl-3-propan-2-yl-N-pyridin-3-ylpyrazole-5-carboxamide.

Molecular Properties

Compound Name1-phenyl-3-propan-2-yl-N-pyridin-3-ylpyrazole-5-carboxamide
PubChem CID52898817
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC Name1-phenyl-3-propan-2-yl-N-pyridin-3-ylpyrazole-5-carboxamide
SMILESCC(C)c1cc(C(=O)Nc2cccnc2)n(-c2ccccc2)n1
InChIInChI=1S/C18H18N4O/c1-13(2)16-11-17(18(23)20-14-7-6-10-19-12-14)22(21-16)15-8-4-3-5-9-15/h3-13H,1-2H3,(H,20,23)
InChIKeyKQXJAILVUHUYDG-UHFFFAOYSA-N
XLogP3.64
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-propan-2-yl-N-pyridin-3-ylpyrazole-5-carboxamide?
The IUPAC name of 1-phenyl-3-propan-2-yl-N-pyridin-3-ylpyrazole-5-carboxamide (CID 52898817) is 1-phenyl-3-propan-2-yl-N-pyridin-3-ylpyrazole-5-carboxamide.
What is the SMILES notation for 1-phenyl-3-propan-2-yl-N-pyridin-3-ylpyrazole-5-carboxamide?
The canonical SMILES for 1-phenyl-3-propan-2-yl-N-pyridin-3-ylpyrazole-5-carboxamide is CC(C)c1cc(C(=O)Nc2cccnc2)n(-c2ccccc2)n1.
What is the InChIKey of 1-phenyl-3-propan-2-yl-N-pyridin-3-ylpyrazole-5-carboxamide?
The InChIKey is KQXJAILVUHUYDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c1-13(2)16-11-17(18(23)20-14-7-6-10-19-12-14)22(21-16)15-8-4-3-5-9-15/h3-13H,1-2H3,(H,20,23).
What are the key properties of 1-phenyl-3-propan-2-yl-N-pyridin-3-ylpyrazole-5-carboxamide?
1-phenyl-3-propan-2-yl-N-pyridin-3-ylpyrazole-5-carboxamide has a molecular weight of 306.37 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-propan-2-yl-N-pyridin-3-ylpyrazole-5-carboxamide is sourced from PubChem (CID 52898817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).