3-(4-cyanophenyl)-4-cyclopropyl-1-propan-2-yl-N-(1-pyrazol-1-ylpropan-2-yl)pyrazole-5-carboxamide

C23H26N6O — CID 45110591

IUPAC3-(4-cyanophenyl)-4-cyclopropyl-1-propan-2-yl-N-(1-pyrazol-1-ylpropan-2-yl)pyrazole-5-carboxamide
SMILESCC(Cn1cccn1)NC(=O)c1c(C2CC2)c(-c2ccc(C#N)cc2)nn1C(C)C
InChIInChI=1S/C23H26N6O/c1-15(2)29-22(23(30)26-16(3)14-28-12-4-11-25-28)20(18-9-10-18)21(27-29)19-7-5-17(13-24)6-8-19/h4-8,11-12,15-16,18H,9-10,14H2,1-3H3,(H,26,30)
InChIKeyYPYBHGOWHLTPSH-UHFFFAOYSA-N
MW402.50 g/mol
LogP3.90
Rot. Bonds7

About 3-(4-cyanophenyl)-4-cyclopropyl-1-propan-2-yl-N-(1-pyrazol-1-ylpropan-2-yl)pyrazole-5-carboxamide

3-(4-cyanophenyl)-4-cyclopropyl-1-propan-2-yl-N-(1-pyrazol-1-ylpropan-2-yl)pyrazole-5-carboxamide (PubChem CID 45110591) has the molecular formula C23H26N6O and a molecular weight of 402.50 g/mol. Its IUPAC name is 3-(4-cyanophenyl)-4-cyclopropyl-1-propan-2-yl-N-(1-pyrazol-1-ylpropan-2-yl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-cyanophenyl)-4-cyclopropyl-1-propan-2-yl-N-(1-pyrazol-1-ylpropan-2-yl)pyrazole-5-carboxamide
PubChem CID45110591
Molecular FormulaC23H26N6O
Molecular Weight402.50 g/mol
Exact Mass402.22
IUPAC Name3-(4-cyanophenyl)-4-cyclopropyl-1-propan-2-yl-N-(1-pyrazol-1-ylpropan-2-yl)pyrazole-5-carboxamide
SMILESCC(Cn1cccn1)NC(=O)c1c(C2CC2)c(-c2ccc(C#N)cc2)nn1C(C)C
InChIInChI=1S/C23H26N6O/c1-15(2)29-22(23(30)26-16(3)14-28-12-4-11-25-28)20(18-9-10-18)21(27-29)19-7-5-17(13-24)6-8-19/h4-8,11-12,15-16,18H,9-10,14H2,1-3H3,(H,26,30)
InChIKeyYPYBHGOWHLTPSH-UHFFFAOYSA-N
XLogP3.90
TPSA88.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-cyanophenyl)-4-cyclopropyl-1-propan-2-yl-N-(1-pyrazol-1-ylpropan-2-yl)pyrazole-5-carboxamide?
The IUPAC name of 3-(4-cyanophenyl)-4-cyclopropyl-1-propan-2-yl-N-(1-pyrazol-1-ylpropan-2-yl)pyrazole-5-carboxamide (CID 45110591) is 3-(4-cyanophenyl)-4-cyclopropyl-1-propan-2-yl-N-(1-pyrazol-1-ylpropan-2-yl)pyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-cyanophenyl)-4-cyclopropyl-1-propan-2-yl-N-(1-pyrazol-1-ylpropan-2-yl)pyrazole-5-carboxamide?
The canonical SMILES for 3-(4-cyanophenyl)-4-cyclopropyl-1-propan-2-yl-N-(1-pyrazol-1-ylpropan-2-yl)pyrazole-5-carboxamide is CC(Cn1cccn1)NC(=O)c1c(C2CC2)c(-c2ccc(C#N)cc2)nn1C(C)C.
What is the InChIKey of 3-(4-cyanophenyl)-4-cyclopropyl-1-propan-2-yl-N-(1-pyrazol-1-ylpropan-2-yl)pyrazole-5-carboxamide?
The InChIKey is YPYBHGOWHLTPSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O/c1-15(2)29-22(23(30)26-16(3)14-28-12-4-11-25-28)20(18-9-10-18)21(27-29)19-7-5-17(13-24)6-8-19/h4-8,11-12,15-16,18H,9-10,14H2,1-3H3,(H,26,30).
What are the key properties of 3-(4-cyanophenyl)-4-cyclopropyl-1-propan-2-yl-N-(1-pyrazol-1-ylpropan-2-yl)pyrazole-5-carboxamide?
3-(4-cyanophenyl)-4-cyclopropyl-1-propan-2-yl-N-(1-pyrazol-1-ylpropan-2-yl)pyrazole-5-carboxamide has a molecular weight of 402.50 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyanophenyl)-4-cyclopropyl-1-propan-2-yl-N-(1-pyrazol-1-ylpropan-2-yl)pyrazole-5-carboxamide is sourced from PubChem (CID 45110591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).