1-(cyclopropylmethyl)-5-methylpyrazole-3-carboxylic acid

C9H12N2O2 — CID 90351295

IUPAC1-(cyclopropylmethyl)-5-methylpyrazole-3-carboxylic acid
SMILESCc1cc(C(=O)O)nn1CC1CC1
InChIInChI=1S/C9H12N2O2/c1-6-4-8(9(12)13)10-11(6)5-7-2-3-7/h4,7H,2-3,5H2,1H3,(H,12,13)
InChIKeyZLKUVPVYLAOHPN-UHFFFAOYSA-N
MW180.21 g/mol
LogP1.30
Rot. Bonds3

About 1-(cyclopropylmethyl)-5-methylpyrazole-3-carboxylic acid

1-(cyclopropylmethyl)-5-methylpyrazole-3-carboxylic acid (PubChem CID 90351295) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-5-methylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-5-methylpyrazole-3-carboxylic acid
PubChem CID90351295
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name1-(cyclopropylmethyl)-5-methylpyrazole-3-carboxylic acid
SMILESCc1cc(C(=O)O)nn1CC1CC1
InChIInChI=1S/C9H12N2O2/c1-6-4-8(9(12)13)10-11(6)5-7-2-3-7/h4,7H,2-3,5H2,1H3,(H,12,13)
InChIKeyZLKUVPVYLAOHPN-UHFFFAOYSA-N
XLogP1.30
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclobutylmethyl)-5-methylpyrazole-3-carboxylic acid
CID 90351294
2-(cyclopropylmethyl)-5-methylpyrazole-3-carboxylic acid
CID 124926405
1-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-2-methylpropan-1-one
CID 90494955
cyclobutyl-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]methanone
CID 56724065
1-(cyclohexa-1,5-dien-1-ylmethyl)-5-methylpyrazole-3-carboxylic acid
CID 134353977
ethyl 2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-2-oxoacetate
CID 52906720
1-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-3,3-dimethylbutan-1-one
CID 90494958
5-methyl-1-[2-(4-methylphenoxy)ethyl]pyrazole-3-carboxylic acid
CID 82301522
1-[(4-bromophenyl)methyl]-5-methylpyrazole-3-carboxylic acid
CID 82307972
2-(cyclopropylmethyl)-5-methylpyrazole-3-carboxamide
CID 161043600
1-[[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]methyl]pyrazole-3,5-dicarboxylic acid
CID 170902177
1-(cyclopentylmethyl)-5-methylpyrazol-3-amine
CID 126975451

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-5-methylpyrazole-3-carboxylic acid?
The IUPAC name of 1-(cyclopropylmethyl)-5-methylpyrazole-3-carboxylic acid (CID 90351295) is 1-(cyclopropylmethyl)-5-methylpyrazole-3-carboxylic acid.
What is the SMILES notation for 1-(cyclopropylmethyl)-5-methylpyrazole-3-carboxylic acid?
The canonical SMILES for 1-(cyclopropylmethyl)-5-methylpyrazole-3-carboxylic acid is Cc1cc(C(=O)O)nn1CC1CC1.
What is the InChIKey of 1-(cyclopropylmethyl)-5-methylpyrazole-3-carboxylic acid?
The InChIKey is ZLKUVPVYLAOHPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-6-4-8(9(12)13)10-11(6)5-7-2-3-7/h4,7H,2-3,5H2,1H3,(H,12,13).
What are the key properties of 1-(cyclopropylmethyl)-5-methylpyrazole-3-carboxylic acid?
1-(cyclopropylmethyl)-5-methylpyrazole-3-carboxylic acid has a molecular weight of 180.21 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-5-methylpyrazole-3-carboxylic acid is sourced from PubChem (CID 90351295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).