1-methyl-5-[(4-methylpyrazol-1-yl)methyl]pyrazole-4-carboxylic acid

C10H12N4O2 — CID 116630240

IUPAC1-methyl-5-[(4-methylpyrazol-1-yl)methyl]pyrazole-4-carboxylic acid
SMILESCc1cnn(Cc2c(C(=O)O)cnn2C)c1
InChIInChI=1S/C10H12N4O2/c1-7-3-12-14(5-7)6-9-8(10(15)16)4-11-13(9)2/h3-5H,6H2,1-2H3,(H,15,16)
InChIKeyUNWPNGUZRPGUCU-UHFFFAOYSA-N
MW220.23 g/mol
LogP0.67
Rot. Bonds3

About 1-methyl-5-[(4-methylpyrazol-1-yl)methyl]pyrazole-4-carboxylic acid

1-methyl-5-[(4-methylpyrazol-1-yl)methyl]pyrazole-4-carboxylic acid (PubChem CID 116630240) has the molecular formula C10H12N4O2 and a molecular weight of 220.23 g/mol. Its IUPAC name is 1-methyl-5-[(4-methylpyrazol-1-yl)methyl]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-methyl-5-[(4-methylpyrazol-1-yl)methyl]pyrazole-4-carboxylic acid
PubChem CID116630240
Molecular FormulaC10H12N4O2
Molecular Weight220.23 g/mol
Exact Mass220.10
IUPAC Name1-methyl-5-[(4-methylpyrazol-1-yl)methyl]pyrazole-4-carboxylic acid
SMILESCc1cnn(Cc2c(C(=O)O)cnn2C)c1
InChIInChI=1S/C10H12N4O2/c1-7-3-12-14(5-7)6-9-8(10(15)16)4-11-13(9)2/h3-5H,6H2,1-2H3,(H,15,16)
InChIKeyUNWPNGUZRPGUCU-UHFFFAOYSA-N
XLogP0.67
TPSA72.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-ethyl-1-methylpyrazole-4-carboxylic acid;hydrochloride
CID 54594161
5-(aminomethyl)-1-methylpyrazole-4-carboxylic acid;hydrochloride
CID 75468759
2-[(4-methylpyrazol-1-yl)methyl]furan-3-carboxylic acid
CID 60873102
1-methyl-5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrazole-4-carboxylic acid
CID 116630237
5-[(3-methoxycarbonyl-1,2,4-triazol-1-yl)methyl]-1-methylpyrazole-4-carboxylic acid
CID 116630404
4-fluoro-2-[(4-methylpyrazol-1-yl)methyl]benzoic acid
CID 104651148
5-fluoro-2-[(4-methylpyrazol-1-yl)methyl]benzoic acid
CID 55172128
5-[(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)methyl]-1-methylpyrazole-4-carboxylic acid
CID 116630352
1-methyl-5-[(2-oxopyrrolidin-1-yl)methyl]pyrazole-4-carboxylic acid
CID 116630146
5-[(3,5-dimethylphenyl)methylsulfinylmethyl]-1-methylpyrazole-4-carboxylic acid
CID 116632556
5-[(4,4-dimethyl-1,1,3-trioxothiazetidin-2-yl)methyl]-1-methylpyrazole-4-carboxylic acid
CID 116630382
1-methyl-5-[(4-methylphenyl)sulfonylmethyl]pyrazole-4-carboxylic acid
CID 116630442

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[(4-methylpyrazol-1-yl)methyl]pyrazole-4-carboxylic acid?
The IUPAC name of 1-methyl-5-[(4-methylpyrazol-1-yl)methyl]pyrazole-4-carboxylic acid (CID 116630240) is 1-methyl-5-[(4-methylpyrazol-1-yl)methyl]pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-methyl-5-[(4-methylpyrazol-1-yl)methyl]pyrazole-4-carboxylic acid?
The canonical SMILES for 1-methyl-5-[(4-methylpyrazol-1-yl)methyl]pyrazole-4-carboxylic acid is Cc1cnn(Cc2c(C(=O)O)cnn2C)c1.
What is the InChIKey of 1-methyl-5-[(4-methylpyrazol-1-yl)methyl]pyrazole-4-carboxylic acid?
The InChIKey is UNWPNGUZRPGUCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2/c1-7-3-12-14(5-7)6-9-8(10(15)16)4-11-13(9)2/h3-5H,6H2,1-2H3,(H,15,16).
What are the key properties of 1-methyl-5-[(4-methylpyrazol-1-yl)methyl]pyrazole-4-carboxylic acid?
1-methyl-5-[(4-methylpyrazol-1-yl)methyl]pyrazole-4-carboxylic acid has a molecular weight of 220.23 g/mol, XLogP of 0.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[(4-methylpyrazol-1-yl)methyl]pyrazole-4-carboxylic acid is sourced from PubChem (CID 116630240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).