N-(3,4-dimethylphenyl)-3-(2-hydroxy-4,5-dimethylphenyl)-1H-pyrazole-5-carboxamide

C20H21N3O2 — CID 2038321

IUPACN-(3,4-dimethylphenyl)-3-(2-hydroxy-4,5-dimethylphenyl)-1H-pyrazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2cc(-c3cc(C)c(C)cc3O)n[nH]2)cc1C
InChIInChI=1S/C20H21N3O2/c1-11-5-6-15(7-12(11)2)21-20(25)18-10-17(22-23-18)16-8-13(3)14(4)9-19(16)24/h5-10,24H,1-4H3,(H,21,25)(H,22,23)
InChIKeyDXOZXMMRVDIYSI-UHFFFAOYSA-N
MW335.41 g/mol
LogP4.27
Rot. Bonds3

About N-(3,4-dimethylphenyl)-3-(2-hydroxy-4,5-dimethylphenyl)-1H-pyrazole-5-carboxamide

N-(3,4-dimethylphenyl)-3-(2-hydroxy-4,5-dimethylphenyl)-1H-pyrazole-5-carboxamide (PubChem CID 2038321) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-3-(2-hydroxy-4,5-dimethylphenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-3-(2-hydroxy-4,5-dimethylphenyl)-1H-pyrazole-5-carboxamide
PubChem CID2038321
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC NameN-(3,4-dimethylphenyl)-3-(2-hydroxy-4,5-dimethylphenyl)-1H-pyrazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2cc(-c3cc(C)c(C)cc3O)n[nH]2)cc1C
InChIInChI=1S/C20H21N3O2/c1-11-5-6-15(7-12(11)2)21-20(25)18-10-17(22-23-18)16-8-13(3)14(4)9-19(16)24/h5-10,24H,1-4H3,(H,21,25)(H,22,23)
InChIKeyDXOZXMMRVDIYSI-UHFFFAOYSA-N
XLogP4.27
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 54.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(5E)-5-(3,4-dimethyl-6-oxocyclohexa-2,4-dien-1-ylidene)-N-pyridin-3-yl-1,2-dihydropyrazole-3-carboxamide
CID 1970728
N-[4-(acetylamino)phenyl]-5-(2-hydroxy-4-methylphenyl)-1H-pyrazole-3-carboxamide
CID 2039042
6-(2-Ethyl-4-Hydroxyphenyl)-1h-Indazole-3-Carboxamide
CID 135567294
N-[4-(acetylamino)phenyl]-5-(2-hydroxy-4,5-dimethylphenyl)-1H-pyrazole-3-carboxamide
CID 1836662
(5E)-5-(4,5-dimethyl-6-oxocyclohexa-2,4-dien-1-ylidene)-N-(3,4-dimethylphenyl)-1,2-dihydropyrazole-3-carboxamide
CID 1838188
5-(2-hydroxy-4,5-dimethylphenyl)-N-(3-methylphenyl)-1H-pyrazole-3-carboxamide
CID 1848114
N-(3,4-dimethylphenyl)-5-(2-hydroxyphenyl)-1H-pyrazole-3-carboxamide
CID 1855608
5-(5-chloro-2-hydroxyphenyl)-N-(3-methylphenyl)-1H-pyrazole-3-carboxamide
CID 1858336
(5E)-N-(2,5-dimethylphenyl)-5-(3-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazole-3-carboxamide
CID 1872658
5-(2-hydroxy-3,4-dimethylphenyl)-N-(pyridin-3-yl)-1H-pyrazole-3-carboxamide
CID 1938961
5-(2-hydroxy-5-methylphenyl)-N-(3-methylphenyl)-1H-pyrazole-3-carboxamide
CID 1939904
5-(2-hydroxy-3,4-dimethylphenyl)-N-(3-methylphenyl)-1H-pyrazole-3-carboxamide
CID 1946538

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-3-(2-hydroxy-4,5-dimethylphenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(3,4-dimethylphenyl)-3-(2-hydroxy-4,5-dimethylphenyl)-1H-pyrazole-5-carboxamide (CID 2038321) is N-(3,4-dimethylphenyl)-3-(2-hydroxy-4,5-dimethylphenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-3-(2-hydroxy-4,5-dimethylphenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-3-(2-hydroxy-4,5-dimethylphenyl)-1H-pyrazole-5-carboxamide is Cc1ccc(NC(=O)c2cc(-c3cc(C)c(C)cc3O)n[nH]2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-3-(2-hydroxy-4,5-dimethylphenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is DXOZXMMRVDIYSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-11-5-6-15(7-12(11)2)21-20(25)18-10-17(22-23-18)16-8-13(3)14(4)9-19(16)24/h5-10,24H,1-4H3,(H,21,25)(H,22,23).
What are the key properties of N-(3,4-dimethylphenyl)-3-(2-hydroxy-4,5-dimethylphenyl)-1H-pyrazole-5-carboxamide?
N-(3,4-dimethylphenyl)-3-(2-hydroxy-4,5-dimethylphenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 4.27, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-3-(2-hydroxy-4,5-dimethylphenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 2038321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).