1-[3-(2,5-dichlorophenyl)-4-(hydroxymethyl)-2,6-dimethylphenyl]pyrazole-3-carboxamide

C19H17Cl2N3O2 — CID 168944620

IUPAC1-[3-(2,5-dichlorophenyl)-4-(hydroxymethyl)-2,6-dimethylphenyl]pyrazole-3-carboxamide
SMILESCc1cc(CO)c(-c2cc(Cl)ccc2Cl)c(C)c1-n1ccc(C(N)=O)n1
InChIInChI=1S/C19H17Cl2N3O2/c1-10-7-12(9-25)17(14-8-13(20)3-4-15(14)21)11(2)18(10)24-6-5-16(23-24)19(22)26/h3-8,25H,9H2,1-2H3,(H2,22,26)
InChIKeyIZRQFVIGZFODJN-UHFFFAOYSA-N
MW390.27 g/mol
LogP4.05
Rot. Bonds4

About 1-[3-(2,5-dichlorophenyl)-4-(hydroxymethyl)-2,6-dimethylphenyl]pyrazole-3-carboxamide

1-[3-(2,5-dichlorophenyl)-4-(hydroxymethyl)-2,6-dimethylphenyl]pyrazole-3-carboxamide (PubChem CID 168944620) has the molecular formula C19H17Cl2N3O2 and a molecular weight of 390.27 g/mol. Its IUPAC name is 1-[3-(2,5-dichlorophenyl)-4-(hydroxymethyl)-2,6-dimethylphenyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[3-(2,5-dichlorophenyl)-4-(hydroxymethyl)-2,6-dimethylphenyl]pyrazole-3-carboxamide
PubChem CID168944620
Molecular FormulaC19H17Cl2N3O2
Molecular Weight390.27 g/mol
Exact Mass389.07
IUPAC Name1-[3-(2,5-dichlorophenyl)-4-(hydroxymethyl)-2,6-dimethylphenyl]pyrazole-3-carboxamide
SMILESCc1cc(CO)c(-c2cc(Cl)ccc2Cl)c(C)c1-n1ccc(C(N)=O)n1
InChIInChI=1S/C19H17Cl2N3O2/c1-10-7-12(9-25)17(14-8-13(20)3-4-15(14)21)11(2)18(10)24-6-5-16(23-24)19(22)26/h3-8,25H,9H2,1-2H3,(H2,22,26)
InChIKeyIZRQFVIGZFODJN-UHFFFAOYSA-N
XLogP4.05
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.27
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(aminomethyl)-6-methylphenyl]pyrazole-3-carboxamide
CID 107105885
1-[4-chloro-2-[(cyclopropylamino)methyl]phenyl]pyrazole-3-carboxamide
CID 114854747
[2-(2,5-dichlorophenyl)-3-fluorophenyl]methanol
CID 118841232
[2-amino-3-(2,5-dichlorophenyl)-4-pyridinyl]methanol
CID 119005469
1-(6-amino-2,3-difluorophenyl)pyrazole-3-carboxamide
CID 64780352
1-(5-chloro-2-methylphenyl)pyrazole-3-carboxylic acid
CID 28973980
[2-(2,5-dichlorophenyl)-5-methyl-4-pyridinyl]methanol
CID 118841793
1-[5-(aminomethyl)-2-methylphenyl]pyrazole-3-carboxamide
CID 105406365
1-(4-acetyl-2-chlorophenyl)pyrazole-3-carboxamide
CID 64780381
2-[2-(2,5-dichlorophenyl)imidazol-1-yl]acetamide
CID 82559595
[6-(2,5-dichlorophenyl)-2-methyl-3-pyridinyl]methanol
CID 82452812
4-(hydroxymethyl)-5-methylpyridine-2-carboxamide
CID 163653918

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,5-dichlorophenyl)-4-(hydroxymethyl)-2,6-dimethylphenyl]pyrazole-3-carboxamide?
The IUPAC name of 1-[3-(2,5-dichlorophenyl)-4-(hydroxymethyl)-2,6-dimethylphenyl]pyrazole-3-carboxamide (CID 168944620) is 1-[3-(2,5-dichlorophenyl)-4-(hydroxymethyl)-2,6-dimethylphenyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-[3-(2,5-dichlorophenyl)-4-(hydroxymethyl)-2,6-dimethylphenyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-[3-(2,5-dichlorophenyl)-4-(hydroxymethyl)-2,6-dimethylphenyl]pyrazole-3-carboxamide is Cc1cc(CO)c(-c2cc(Cl)ccc2Cl)c(C)c1-n1ccc(C(N)=O)n1.
What is the InChIKey of 1-[3-(2,5-dichlorophenyl)-4-(hydroxymethyl)-2,6-dimethylphenyl]pyrazole-3-carboxamide?
The InChIKey is IZRQFVIGZFODJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2N3O2/c1-10-7-12(9-25)17(14-8-13(20)3-4-15(14)21)11(2)18(10)24-6-5-16(23-24)19(22)26/h3-8,25H,9H2,1-2H3,(H2,22,26).
What are the key properties of 1-[3-(2,5-dichlorophenyl)-4-(hydroxymethyl)-2,6-dimethylphenyl]pyrazole-3-carboxamide?
1-[3-(2,5-dichlorophenyl)-4-(hydroxymethyl)-2,6-dimethylphenyl]pyrazole-3-carboxamide has a molecular weight of 390.27 g/mol, XLogP of 4.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,5-dichlorophenyl)-4-(hydroxymethyl)-2,6-dimethylphenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 168944620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).