3-(4-cyanophenyl)-4-cyclopropyl-N-(oxan-4-yl)-1-propan-2-ylpyrazole-5-carboxamide

C22H26N4O2 — CID 59504787

IUPAC3-(4-cyanophenyl)-4-cyclopropyl-N-(oxan-4-yl)-1-propan-2-ylpyrazole-5-carboxamide
SMILESCC(C)n1nc(-c2ccc(C#N)cc2)c(C2CC2)c1C(=O)NC1CCOCC1
InChIInChI=1S/C22H26N4O2/c1-14(2)26-21(22(27)24-18-9-11-28-12-10-18)19(16-7-8-16)20(25-26)17-5-3-15(13-23)4-6-17/h3-6,14,16,18H,7-12H2,1-2H3,(H,24,27)
InChIKeyGDFKDZQZHHFAQS-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.79
Rot. Bonds5

About 3-(4-cyanophenyl)-4-cyclopropyl-N-(oxan-4-yl)-1-propan-2-ylpyrazole-5-carboxamide

3-(4-cyanophenyl)-4-cyclopropyl-N-(oxan-4-yl)-1-propan-2-ylpyrazole-5-carboxamide (PubChem CID 59504787) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 3-(4-cyanophenyl)-4-cyclopropyl-N-(oxan-4-yl)-1-propan-2-ylpyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-cyanophenyl)-4-cyclopropyl-N-(oxan-4-yl)-1-propan-2-ylpyrazole-5-carboxamide
PubChem CID59504787
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name3-(4-cyanophenyl)-4-cyclopropyl-N-(oxan-4-yl)-1-propan-2-ylpyrazole-5-carboxamide
SMILESCC(C)n1nc(-c2ccc(C#N)cc2)c(C2CC2)c1C(=O)NC1CCOCC1
InChIInChI=1S/C22H26N4O2/c1-14(2)26-21(22(27)24-18-9-11-28-12-10-18)19(16-7-8-16)20(25-26)17-5-3-15(13-23)4-6-17/h3-6,14,16,18H,7-12H2,1-2H3,(H,24,27)
InChIKeyGDFKDZQZHHFAQS-UHFFFAOYSA-N
XLogP3.79
TPSA79.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-cyanophenyl)-4-cyclopropyl-N-(oxan-4-yl)-1-propan-2-ylpyrazole-5-carboxamide?
The IUPAC name of 3-(4-cyanophenyl)-4-cyclopropyl-N-(oxan-4-yl)-1-propan-2-ylpyrazole-5-carboxamide (CID 59504787) is 3-(4-cyanophenyl)-4-cyclopropyl-N-(oxan-4-yl)-1-propan-2-ylpyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-cyanophenyl)-4-cyclopropyl-N-(oxan-4-yl)-1-propan-2-ylpyrazole-5-carboxamide?
The canonical SMILES for 3-(4-cyanophenyl)-4-cyclopropyl-N-(oxan-4-yl)-1-propan-2-ylpyrazole-5-carboxamide is CC(C)n1nc(-c2ccc(C#N)cc2)c(C2CC2)c1C(=O)NC1CCOCC1.
What is the InChIKey of 3-(4-cyanophenyl)-4-cyclopropyl-N-(oxan-4-yl)-1-propan-2-ylpyrazole-5-carboxamide?
The InChIKey is GDFKDZQZHHFAQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-14(2)26-21(22(27)24-18-9-11-28-12-10-18)19(16-7-8-16)20(25-26)17-5-3-15(13-23)4-6-17/h3-6,14,16,18H,7-12H2,1-2H3,(H,24,27).
What are the key properties of 3-(4-cyanophenyl)-4-cyclopropyl-N-(oxan-4-yl)-1-propan-2-ylpyrazole-5-carboxamide?
3-(4-cyanophenyl)-4-cyclopropyl-N-(oxan-4-yl)-1-propan-2-ylpyrazole-5-carboxamide has a molecular weight of 378.48 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyanophenyl)-4-cyclopropyl-N-(oxan-4-yl)-1-propan-2-ylpyrazole-5-carboxamide is sourced from PubChem (CID 59504787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).