1-[[4-[(3,5-dimethylpyrazol-1-yl)methyl]-2-methylphenyl]methyl]pyrazole-4-carboxamide

C18H21N5O — CID 174752216

IUPAC1-[[4-[(3,5-dimethylpyrazol-1-yl)methyl]-2-methylphenyl]methyl]pyrazole-4-carboxamide
SMILESCc1cc(C)n(Cc2ccc(Cn3cc(C(N)=O)cn3)c(C)c2)n1
InChIInChI=1S/C18H21N5O/c1-12-6-15(9-23-14(3)7-13(2)21-23)4-5-16(12)10-22-11-17(8-20-22)18(19)24/h4-8,11H,9-10H2,1-3H3,(H2,19,24)
InChIKeyIOKYYUSERGXZLM-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.20
Rot. Bonds5

About 1-[[4-[(3,5-dimethylpyrazol-1-yl)methyl]-2-methylphenyl]methyl]pyrazole-4-carboxamide

1-[[4-[(3,5-dimethylpyrazol-1-yl)methyl]-2-methylphenyl]methyl]pyrazole-4-carboxamide (PubChem CID 174752216) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is 1-[[4-[(3,5-dimethylpyrazol-1-yl)methyl]-2-methylphenyl]methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[[4-[(3,5-dimethylpyrazol-1-yl)methyl]-2-methylphenyl]methyl]pyrazole-4-carboxamide
PubChem CID174752216
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name1-[[4-[(3,5-dimethylpyrazol-1-yl)methyl]-2-methylphenyl]methyl]pyrazole-4-carboxamide
SMILESCc1cc(C)n(Cc2ccc(Cn3cc(C(N)=O)cn3)c(C)c2)n1
InChIInChI=1S/C18H21N5O/c1-12-6-15(9-23-14(3)7-13(2)21-23)4-5-16(12)10-22-11-17(8-20-22)18(19)24/h4-8,11H,9-10H2,1-3H3,(H2,19,24)
InChIKeyIOKYYUSERGXZLM-UHFFFAOYSA-N
XLogP2.20
TPSA78.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[2-methyl-4-(morpholin-4-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 174752138
1-[[4-(cyanomethoxy)-2-methylphenyl]methyl]pyrazole-4-carboxamide
CID 174751825
N-(4-carbamoylphenyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
CID 48980777
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]benzamide
CID 19399975
1-[(4-fluorophenyl)methyl]pyrazole-4-carboxamide
CID 145294520
3-methyl-4-[(3-methylpyrazol-1-yl)methyl]benzamide
CID 114485945
N-[4-(2-amino-2-oxoethyl)phenyl]-3-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
CID 47084051
4-[(3,5-dimethylpyrazol-1-yl)methyl]aniline;dihydrochloride
CID 45123702
3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazole;ethane
CID 144748277
1-[[2-(hydrazinecarbonyl)phenyl]methyl]pyrazole-4-carboxamide
CID 63577990
5-[(4-carbamoylpyrazol-1-yl)methyl]-1-benzofuran-2-carboxylic acid
CID 65295105
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(2,4,6-trimethylphenyl)benzamide
CID 48980515

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[(3,5-dimethylpyrazol-1-yl)methyl]-2-methylphenyl]methyl]pyrazole-4-carboxamide?
The IUPAC name of 1-[[4-[(3,5-dimethylpyrazol-1-yl)methyl]-2-methylphenyl]methyl]pyrazole-4-carboxamide (CID 174752216) is 1-[[4-[(3,5-dimethylpyrazol-1-yl)methyl]-2-methylphenyl]methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-[[4-[(3,5-dimethylpyrazol-1-yl)methyl]-2-methylphenyl]methyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-[[4-[(3,5-dimethylpyrazol-1-yl)methyl]-2-methylphenyl]methyl]pyrazole-4-carboxamide is Cc1cc(C)n(Cc2ccc(Cn3cc(C(N)=O)cn3)c(C)c2)n1.
What is the InChIKey of 1-[[4-[(3,5-dimethylpyrazol-1-yl)methyl]-2-methylphenyl]methyl]pyrazole-4-carboxamide?
The InChIKey is IOKYYUSERGXZLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-12-6-15(9-23-14(3)7-13(2)21-23)4-5-16(12)10-22-11-17(8-20-22)18(19)24/h4-8,11H,9-10H2,1-3H3,(H2,19,24).
What are the key properties of 1-[[4-[(3,5-dimethylpyrazol-1-yl)methyl]-2-methylphenyl]methyl]pyrazole-4-carboxamide?
1-[[4-[(3,5-dimethylpyrazol-1-yl)methyl]-2-methylphenyl]methyl]pyrazole-4-carboxamide has a molecular weight of 323.40 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[(3,5-dimethylpyrazol-1-yl)methyl]-2-methylphenyl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 174752216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).