1-[(2,6-dichlorophenyl)methyl]-5-methyl-N-(3-methylphenyl)pyrazole-3-carboxamide

C19H17Cl2N3O — CID 2747070

IUPAC1-[(2,6-dichlorophenyl)methyl]-5-methyl-N-(3-methylphenyl)pyrazole-3-carboxamide
SMILESCc1cccc(NC(=O)c2cc(C)n(Cc3c(Cl)cccc3Cl)n2)c1
InChIInChI=1S/C19H17Cl2N3O/c1-12-5-3-6-14(9-12)22-19(25)18-10-13(2)24(23-18)11-15-16(20)7-4-8-17(15)21/h3-10H,11H2,1-2H3,(H,22,25)
InChIKeySKUQQQWNGFTXFN-UHFFFAOYSA-N
MW374.27 g/mol
LogP5.11
Rot. Bonds4

About 1-[(2,6-dichlorophenyl)methyl]-5-methyl-N-(3-methylphenyl)pyrazole-3-carboxamide

1-[(2,6-dichlorophenyl)methyl]-5-methyl-N-(3-methylphenyl)pyrazole-3-carboxamide (PubChem CID 2747070) has the molecular formula C19H17Cl2N3O and a molecular weight of 374.27 g/mol. Its IUPAC name is 1-[(2,6-dichlorophenyl)methyl]-5-methyl-N-(3-methylphenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[(2,6-dichlorophenyl)methyl]-5-methyl-N-(3-methylphenyl)pyrazole-3-carboxamide
PubChem CID2747070
Molecular FormulaC19H17Cl2N3O
Molecular Weight374.27 g/mol
Exact Mass373.07
IUPAC Name1-[(2,6-dichlorophenyl)methyl]-5-methyl-N-(3-methylphenyl)pyrazole-3-carboxamide
SMILESCc1cccc(NC(=O)c2cc(C)n(Cc3c(Cl)cccc3Cl)n2)c1
InChIInChI=1S/C19H17Cl2N3O/c1-12-5-3-6-14(9-12)22-19(25)18-10-13(2)24(23-18)11-15-16(20)7-4-8-17(15)21/h3-10H,11H2,1-2H3,(H,22,25)
InChIKeySKUQQQWNGFTXFN-UHFFFAOYSA-N
XLogP5.11
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.27
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2,6-dichlorophenyl)methyl]-5-methyl-N-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 2747069
5-amino-1-ethyl-N-(3-methylphenyl)pyrazole-3-carboxamide
CID 122171449
N-[1-[(2,6-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]propanamide
CID 19339660
N-[1-[(2,6-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-3,4-dimethylbenzamide
CID 19339600
N'-(2,6-dichlorophenyl)-N-(3-methylphenyl)propanediamide
CID 108953078
1-[3-[[1-[(2,6-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]amino]-3-oxopropyl]pyrazole-3-carboxylic acid
CID 19470831
2-[5-[[1-[(2,6-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]carbamoyl]pyrazol-1-yl]acetic acid
CID 19482676
2-[3-[[1-[(2,6-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]amino]-3-oxopropyl]pyrazole-3-carboxylic acid
CID 19493982
1-[1-[(2,6-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-3-methylthiourea
CID 19405441
6-N-(3-methylphenyl)-2-N-phenylpyridine-2,6-dicarboxamide
CID 109099953
1-[3-(5-chloro-2-methylanilino)-3-oxopropyl]-N-(3-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 53066085
1-[3-[(5-chloro-2-pyridinyl)amino]-3-oxopropyl]-N-(3-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 53066077

Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-dichlorophenyl)methyl]-5-methyl-N-(3-methylphenyl)pyrazole-3-carboxamide?
The IUPAC name of 1-[(2,6-dichlorophenyl)methyl]-5-methyl-N-(3-methylphenyl)pyrazole-3-carboxamide (CID 2747070) is 1-[(2,6-dichlorophenyl)methyl]-5-methyl-N-(3-methylphenyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-[(2,6-dichlorophenyl)methyl]-5-methyl-N-(3-methylphenyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-[(2,6-dichlorophenyl)methyl]-5-methyl-N-(3-methylphenyl)pyrazole-3-carboxamide is Cc1cccc(NC(=O)c2cc(C)n(Cc3c(Cl)cccc3Cl)n2)c1.
What is the InChIKey of 1-[(2,6-dichlorophenyl)methyl]-5-methyl-N-(3-methylphenyl)pyrazole-3-carboxamide?
The InChIKey is SKUQQQWNGFTXFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2N3O/c1-12-5-3-6-14(9-12)22-19(25)18-10-13(2)24(23-18)11-15-16(20)7-4-8-17(15)21/h3-10H,11H2,1-2H3,(H,22,25).
What are the key properties of 1-[(2,6-dichlorophenyl)methyl]-5-methyl-N-(3-methylphenyl)pyrazole-3-carboxamide?
1-[(2,6-dichlorophenyl)methyl]-5-methyl-N-(3-methylphenyl)pyrazole-3-carboxamide has a molecular weight of 374.27 g/mol, XLogP of 5.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-dichlorophenyl)methyl]-5-methyl-N-(3-methylphenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 2747070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).