3-(2-hydroxyphenyl)-N-[4-(4-methoxyphenyl)thiadiazol-5-yl]-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide

C24H20N6O3S — CID 68704102

IUPAC3-(2-hydroxyphenyl)-N-[4-(4-methoxyphenyl)thiadiazol-5-yl]-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide
SMILESCOc1ccc(-c2nnsc2NC(=O)N2N=C(c3cccnc3)CC2c2ccccc2O)cc1
InChIInChI=1S/C24H20N6O3S/c1-33-17-10-8-15(9-11-17)22-23(34-29-27-22)26-24(32)30-20(18-6-2-3-7-21(18)31)13-19(28-30)16-5-4-12-25-14-16/h2-12,14,20,31H,13H2,1H3,(H,26,32)
InChIKeyZSBCEUCWOOYXTO-UHFFFAOYSA-N
MW472.53 g/mol
LogP4.70
Rot. Bonds5

About 3-(2-hydroxyphenyl)-N-[4-(4-methoxyphenyl)thiadiazol-5-yl]-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide

3-(2-hydroxyphenyl)-N-[4-(4-methoxyphenyl)thiadiazol-5-yl]-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide (PubChem CID 68704102) has the molecular formula C24H20N6O3S and a molecular weight of 472.53 g/mol. Its IUPAC name is 3-(2-hydroxyphenyl)-N-[4-(4-methoxyphenyl)thiadiazol-5-yl]-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide.

Molecular Properties

Compound Name3-(2-hydroxyphenyl)-N-[4-(4-methoxyphenyl)thiadiazol-5-yl]-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide
PubChem CID68704102
Molecular FormulaC24H20N6O3S
Molecular Weight472.53 g/mol
Exact Mass472.13
IUPAC Name3-(2-hydroxyphenyl)-N-[4-(4-methoxyphenyl)thiadiazol-5-yl]-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide
SMILESCOc1ccc(-c2nnsc2NC(=O)N2N=C(c3cccnc3)CC2c2ccccc2O)cc1
InChIInChI=1S/C24H20N6O3S/c1-33-17-10-8-15(9-11-17)22-23(34-29-27-22)26-24(32)30-20(18-6-2-3-7-21(18)31)13-19(28-30)16-5-4-12-25-14-16/h2-12,14,20,31H,13H2,1H3,(H,26,32)
InChIKeyZSBCEUCWOOYXTO-UHFFFAOYSA-N
XLogP4.70
TPSA112.83 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.53
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 3-(2-hydroxyphenyl)-N-[4-(4-methoxyphenyl)thiadiazol-5-yl]-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-[1-(4-methoxyphenyl)cyclopentyl]methanone
CID 59463320
1-[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]ethanone
CID 2975411
3-(2-hydroxyphenyl)-N-[4-(phenoxymethyl)-1,3-thiazol-2-yl]-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide
CID 59463289
3-(2-hydroxyphenyl)-N-(4-methoxy-3-phenylmethoxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide
CID 68708302
3-(2-hydroxyphenyl)-N-[2-(2-methylphenoxy)phenyl]-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide
CID 59463412
3-(2-hydroxyphenyl)-5-pyridin-3-yl-N-[4-(1,2,4-triazol-1-yl)phenyl]-3,4-dihydropyrazole-2-carboxamide
CID 59463119
N-(3-benzoylphenyl)-3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide
CID 59463211
3-(2-hydroxyphenyl)-N-[4-(4-hydroxyphenyl)-3-methyl-1,2-oxazol-5-yl]-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide;methane
CID 160987850
4-[(3S)-3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid
CID 96563642
3-(2-hydroxyphenyl)-N-(2-phenyl-4,5-dihydro-1,3-thiazol-4-yl)-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide
CID 71081189
[3-(2-hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone
CID 59463250
3-(2-hydroxyphenyl)-N-(1-phenylcyclohexyl)-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide
CID 59463175

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyphenyl)-N-[4-(4-methoxyphenyl)thiadiazol-5-yl]-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide?
The IUPAC name of 3-(2-hydroxyphenyl)-N-[4-(4-methoxyphenyl)thiadiazol-5-yl]-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide (CID 68704102) is 3-(2-hydroxyphenyl)-N-[4-(4-methoxyphenyl)thiadiazol-5-yl]-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide.
What is the SMILES notation for 3-(2-hydroxyphenyl)-N-[4-(4-methoxyphenyl)thiadiazol-5-yl]-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide?
The canonical SMILES for 3-(2-hydroxyphenyl)-N-[4-(4-methoxyphenyl)thiadiazol-5-yl]-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide is COc1ccc(-c2nnsc2NC(=O)N2N=C(c3cccnc3)CC2c2ccccc2O)cc1.
What is the InChIKey of 3-(2-hydroxyphenyl)-N-[4-(4-methoxyphenyl)thiadiazol-5-yl]-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide?
The InChIKey is ZSBCEUCWOOYXTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N6O3S/c1-33-17-10-8-15(9-11-17)22-23(34-29-27-22)26-24(32)30-20(18-6-2-3-7-21(18)31)13-19(28-30)16-5-4-12-25-14-16/h2-12,14,20,31H,13H2,1H3,(H,26,32).
What are the key properties of 3-(2-hydroxyphenyl)-N-[4-(4-methoxyphenyl)thiadiazol-5-yl]-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide?
3-(2-hydroxyphenyl)-N-[4-(4-methoxyphenyl)thiadiazol-5-yl]-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide has a molecular weight of 472.53 g/mol, XLogP of 4.70, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyphenyl)-N-[4-(4-methoxyphenyl)thiadiazol-5-yl]-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide is sourced from PubChem (CID 68704102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).