3-(2-hydroxyphenyl)-N-(1-phenylcyclohexyl)-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide

C27H28N4O2 — CID 59463175

IUPAC3-(2-hydroxyphenyl)-N-(1-phenylcyclohexyl)-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide
SMILESO=C(NC1(c2ccccc2)CCCCC1)N1N=C(c2cccnc2)CC1c1ccccc1O
InChIInChI=1S/C27H28N4O2/c32-25-14-6-5-13-22(25)24-18-23(20-10-9-17-28-19-20)30-31(24)26(33)29-27(15-7-2-8-16-27)21-11-3-1-4-12-21/h1,3-6,9-14,17,19,24,32H,2,7-8,15-16,18H2,(H,29,33)
InChIKeyPGCKTQYPVKCVHM-UHFFFAOYSA-N
MW440.55 g/mol
LogP5.51
Rot. Bonds4

About 3-(2-hydroxyphenyl)-N-(1-phenylcyclohexyl)-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide

3-(2-hydroxyphenyl)-N-(1-phenylcyclohexyl)-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide (PubChem CID 59463175) has the molecular formula C27H28N4O2 and a molecular weight of 440.55 g/mol. Its IUPAC name is 3-(2-hydroxyphenyl)-N-(1-phenylcyclohexyl)-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide.

Molecular Properties

Compound Name3-(2-hydroxyphenyl)-N-(1-phenylcyclohexyl)-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide
PubChem CID59463175
Molecular FormulaC27H28N4O2
Molecular Weight440.55 g/mol
Exact Mass440.22
IUPAC Name3-(2-hydroxyphenyl)-N-(1-phenylcyclohexyl)-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide
SMILESO=C(NC1(c2ccccc2)CCCCC1)N1N=C(c2cccnc2)CC1c1ccccc1O
InChIInChI=1S/C27H28N4O2/c32-25-14-6-5-13-22(25)24-18-23(20-10-9-17-28-19-20)30-31(24)26(33)29-27(15-7-2-8-16-27)21-11-3-1-4-12-21/h1,3-6,9-14,17,19,24,32H,2,7-8,15-16,18H2,(H,29,33)
InChIKeyPGCKTQYPVKCVHM-UHFFFAOYSA-N
XLogP5.51
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.55
LogP ≤ 55.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyphenyl)-N-(1-phenylcyclohexyl)-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide?
The IUPAC name of 3-(2-hydroxyphenyl)-N-(1-phenylcyclohexyl)-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide (CID 59463175) is 3-(2-hydroxyphenyl)-N-(1-phenylcyclohexyl)-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide.
What is the SMILES notation for 3-(2-hydroxyphenyl)-N-(1-phenylcyclohexyl)-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide?
The canonical SMILES for 3-(2-hydroxyphenyl)-N-(1-phenylcyclohexyl)-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide is O=C(NC1(c2ccccc2)CCCCC1)N1N=C(c2cccnc2)CC1c1ccccc1O.
What is the InChIKey of 3-(2-hydroxyphenyl)-N-(1-phenylcyclohexyl)-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide?
The InChIKey is PGCKTQYPVKCVHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O2/c32-25-14-6-5-13-22(25)24-18-23(20-10-9-17-28-19-20)30-31(24)26(33)29-27(15-7-2-8-16-27)21-11-3-1-4-12-21/h1,3-6,9-14,17,19,24,32H,2,7-8,15-16,18H2,(H,29,33).
What are the key properties of 3-(2-hydroxyphenyl)-N-(1-phenylcyclohexyl)-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide?
3-(2-hydroxyphenyl)-N-(1-phenylcyclohexyl)-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide has a molecular weight of 440.55 g/mol, XLogP of 5.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyphenyl)-N-(1-phenylcyclohexyl)-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide is sourced from PubChem (CID 59463175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).