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

C27H22N4O3 — CID 24964301

IUPAC3-(2-hydroxyphenyl)-N-(2-phenoxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide
SMILESO=C(Nc1ccccc1Oc1ccccc1)N1N=C(c2cccnc2)CC1c1ccccc1O
InChIInChI=1S/C27H22N4O3/c32-25-14-6-4-12-21(25)24-17-23(19-9-8-16-28-18-19)30-31(24)27(33)29-22-13-5-7-15-26(22)34-20-10-2-1-3-11-20/h1-16,18,24,32H,17H2,(H,29,33)
InChIKeyDPKQYJNYMKJPAI-UHFFFAOYSA-N
MW450.50 g/mol
LogP5.96
Rot. Bonds5

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

3-(2-hydroxyphenyl)-N-(2-phenoxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide (PubChem CID 24964301) has the molecular formula C27H22N4O3 and a molecular weight of 450.50 g/mol. Its IUPAC name is 3-(2-hydroxyphenyl)-N-(2-phenoxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide.

Molecular Properties

Compound Name3-(2-hydroxyphenyl)-N-(2-phenoxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide
PubChem CID24964301
Molecular FormulaC27H22N4O3
Molecular Weight450.50 g/mol
Exact Mass450.17
IUPAC Name3-(2-hydroxyphenyl)-N-(2-phenoxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide
SMILESO=C(Nc1ccccc1Oc1ccccc1)N1N=C(c2cccnc2)CC1c1ccccc1O
InChIInChI=1S/C27H22N4O3/c32-25-14-6-4-12-21(25)24-17-23(19-9-8-16-28-18-19)30-31(24)27(33)29-22-13-5-7-15-26(22)34-20-10-2-1-3-11-20/h1-16,18,24,32H,17H2,(H,29,33)
InChIKeyDPKQYJNYMKJPAI-UHFFFAOYSA-N
XLogP5.96
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.50
LogP ≤ 55.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(2-phenoxyphenyl)-3-[(E)-pyridin-3-ylmethylideneamino]urea
CID 76322961
1-(2-phenoxyphenyl)-3-[(E)-pyridin-4-ylmethylideneamino]urea
CID 76322962
1-(2-phenoxyphenyl)-3-[(E)-pyridin-2-ylmethylideneamino]urea
CID 76330161
N-[4-(4-fluorophenoxy)phenyl]-3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide
CID 59463173
N-[2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-fluorophenyl]-3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide
CID 59463208
N-[2-(2,4-difluorophenoxy)-3-pyridinyl]-3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide
CID 59463217
N-[3-(2-fluorophenyl)phenyl]-3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide
CID 59463225
N-[3-(4-fluorophenyl)phenyl]-3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide
CID 59463257
N-[2-(4-chlorophenoxy)-5-(trifluoromethyl)phenyl]-3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide
CID 59463293
N-[2-(4-fluorophenyl)phenyl]-3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide
CID 59463309
3-(2-hydroxyphenyl)-5-pyridin-3-yl-N-[2-[4-(trifluoromethyl)phenyl]phenyl]-3,4-dihydropyrazole-2-carboxamide
CID 59463317
N-[4-[3,5-bis(trifluoromethyl)phenoxy]phenyl]-3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide
CID 59463358

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyphenyl)-N-(2-phenoxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide?
The IUPAC name of 3-(2-hydroxyphenyl)-N-(2-phenoxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide (CID 24964301) is 3-(2-hydroxyphenyl)-N-(2-phenoxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide.
What is the SMILES notation for 3-(2-hydroxyphenyl)-N-(2-phenoxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide?
The canonical SMILES for 3-(2-hydroxyphenyl)-N-(2-phenoxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide is O=C(Nc1ccccc1Oc1ccccc1)N1N=C(c2cccnc2)CC1c1ccccc1O.
What is the InChIKey of 3-(2-hydroxyphenyl)-N-(2-phenoxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide?
The InChIKey is DPKQYJNYMKJPAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N4O3/c32-25-14-6-4-12-21(25)24-17-23(19-9-8-16-28-18-19)30-31(24)27(33)29-22-13-5-7-15-26(22)34-20-10-2-1-3-11-20/h1-16,18,24,32H,17H2,(H,29,33).
What are the key properties of 3-(2-hydroxyphenyl)-N-(2-phenoxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide?
3-(2-hydroxyphenyl)-N-(2-phenoxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide has a molecular weight of 450.50 g/mol, XLogP of 5.96, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyphenyl)-N-(2-phenoxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide is sourced from PubChem (CID 24964301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).