3-(2-hydroxyphenyl)-5-pyridin-3-yl-N-[4-(1,2,4-triazol-1-yl)phenyl]-3,4-dihydropyrazole-2-carboxamide

C23H19N7O2 — CID 59463119

IUPAC3-(2-hydroxyphenyl)-5-pyridin-3-yl-N-[4-(1,2,4-triazol-1-yl)phenyl]-3,4-dihydropyrazole-2-carboxamide
SMILESO=C(Nc1ccc(-n2cncn2)cc1)N1N=C(c2cccnc2)CC1c1ccccc1O
InChIInChI=1S/C23H19N7O2/c31-22-6-2-1-5-19(22)21-12-20(16-4-3-11-24-13-16)28-30(21)23(32)27-17-7-9-18(10-8-17)29-15-25-14-26-29/h1-11,13-15,21,31H,12H2,(H,27,32)
InChIKeyWZYQBLBKKDPFRB-UHFFFAOYSA-N
MW425.45 g/mol
LogP3.75
Rot. Bonds4

About 3-(2-hydroxyphenyl)-5-pyridin-3-yl-N-[4-(1,2,4-triazol-1-yl)phenyl]-3,4-dihydropyrazole-2-carboxamide

3-(2-hydroxyphenyl)-5-pyridin-3-yl-N-[4-(1,2,4-triazol-1-yl)phenyl]-3,4-dihydropyrazole-2-carboxamide (PubChem CID 59463119) has the molecular formula C23H19N7O2 and a molecular weight of 425.45 g/mol. Its IUPAC name is 3-(2-hydroxyphenyl)-5-pyridin-3-yl-N-[4-(1,2,4-triazol-1-yl)phenyl]-3,4-dihydropyrazole-2-carboxamide.

Molecular Properties

Compound Name3-(2-hydroxyphenyl)-5-pyridin-3-yl-N-[4-(1,2,4-triazol-1-yl)phenyl]-3,4-dihydropyrazole-2-carboxamide
PubChem CID59463119
Molecular FormulaC23H19N7O2
Molecular Weight425.45 g/mol
Exact Mass425.16
IUPAC Name3-(2-hydroxyphenyl)-5-pyridin-3-yl-N-[4-(1,2,4-triazol-1-yl)phenyl]-3,4-dihydropyrazole-2-carboxamide
SMILESO=C(Nc1ccc(-n2cncn2)cc1)N1N=C(c2cccnc2)CC1c1ccccc1O
InChIInChI=1S/C23H19N7O2/c31-22-6-2-1-5-19(22)21-12-20(16-4-3-11-24-13-16)28-30(21)23(32)27-17-7-9-18(10-8-17)29-15-25-14-26-29/h1-11,13-15,21,31H,12H2,(H,27,32)
InChIKeyWZYQBLBKKDPFRB-UHFFFAOYSA-N
XLogP3.75
TPSA108.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.45
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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)-5-pyridin-3-yl-N-[4-(1,2,4-triazol-1-yl)phenyl]-3,4-dihydropyrazole-2-carboxamide?
The IUPAC name of 3-(2-hydroxyphenyl)-5-pyridin-3-yl-N-[4-(1,2,4-triazol-1-yl)phenyl]-3,4-dihydropyrazole-2-carboxamide (CID 59463119) is 3-(2-hydroxyphenyl)-5-pyridin-3-yl-N-[4-(1,2,4-triazol-1-yl)phenyl]-3,4-dihydropyrazole-2-carboxamide.
What is the SMILES notation for 3-(2-hydroxyphenyl)-5-pyridin-3-yl-N-[4-(1,2,4-triazol-1-yl)phenyl]-3,4-dihydropyrazole-2-carboxamide?
The canonical SMILES for 3-(2-hydroxyphenyl)-5-pyridin-3-yl-N-[4-(1,2,4-triazol-1-yl)phenyl]-3,4-dihydropyrazole-2-carboxamide is O=C(Nc1ccc(-n2cncn2)cc1)N1N=C(c2cccnc2)CC1c1ccccc1O.
What is the InChIKey of 3-(2-hydroxyphenyl)-5-pyridin-3-yl-N-[4-(1,2,4-triazol-1-yl)phenyl]-3,4-dihydropyrazole-2-carboxamide?
The InChIKey is WZYQBLBKKDPFRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N7O2/c31-22-6-2-1-5-19(22)21-12-20(16-4-3-11-24-13-16)28-30(21)23(32)27-17-7-9-18(10-8-17)29-15-25-14-26-29/h1-11,13-15,21,31H,12H2,(H,27,32).
What are the key properties of 3-(2-hydroxyphenyl)-5-pyridin-3-yl-N-[4-(1,2,4-triazol-1-yl)phenyl]-3,4-dihydropyrazole-2-carboxamide?
3-(2-hydroxyphenyl)-5-pyridin-3-yl-N-[4-(1,2,4-triazol-1-yl)phenyl]-3,4-dihydropyrazole-2-carboxamide has a molecular weight of 425.45 g/mol, XLogP of 3.75, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyphenyl)-5-pyridin-3-yl-N-[4-(1,2,4-triazol-1-yl)phenyl]-3,4-dihydropyrazole-2-carboxamide is sourced from PubChem (CID 59463119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).