3-cyclopropyl-1-methylpyrazole-5-carboxylic acid;hydrochloride

C8H11ClN2O2 — CID 133054193

IUPAC3-cyclopropyl-1-methylpyrazole-5-carboxylic acid;hydrochloride
SMILESCl.Cn1nc(C2CC2)cc1C(=O)O
InChIInChI=1S/C8H10N2O2.ClH/c1-10-7(8(11)12)4-6(9-10)5-2-3-5;/h4-5H,2-3H2,1H3,(H,11,12);1H
InChIKeyHATDENCACGKDBC-UHFFFAOYSA-N
MW202.64 g/mol
LogP1.42
Rot. Bonds2

About 3-cyclopropyl-1-methylpyrazole-5-carboxylic acid;hydrochloride

3-cyclopropyl-1-methylpyrazole-5-carboxylic acid;hydrochloride (PubChem CID 133054193) has the molecular formula C8H11ClN2O2 and a molecular weight of 202.64 g/mol. Its IUPAC name is 3-cyclopropyl-1-methylpyrazole-5-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name3-cyclopropyl-1-methylpyrazole-5-carboxylic acid;hydrochloride
PubChem CID133054193
Molecular FormulaC8H11ClN2O2
Molecular Weight202.64 g/mol
Exact Mass202.05
IUPAC Name3-cyclopropyl-1-methylpyrazole-5-carboxylic acid;hydrochloride
SMILESCl.Cn1nc(C2CC2)cc1C(=O)O
InChIInChI=1S/C8H10N2O2.ClH/c1-10-7(8(11)12)4-6(9-10)5-2-3-5;/h4-5H,2-3H2,1H3,(H,11,12);1H
InChIKeyHATDENCACGKDBC-UHFFFAOYSA-N
XLogP1.42
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.64
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-3-(oxan-4-yl)pyrazole-5-carboxylic acid
CID 83702839
2-[(3-cyclopropyl-1-methylpyrazole-5-carbonyl)amino]propanoic acid
CID 155272214
(3-cyclopropyl-1-methylpyrazol-5-yl)carbamic acid
CID 69157729
1-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-phenylsulfanylethanone
CID 71471183
2-amino-3-(3-cyclopropyl-1-methylpyrazol-5-yl)propanoic acid
CID 83834482
3-cyclopropyl-N-[[4-(dimethylamino)-1-methylpiperidin-4-yl]methyl]-1-methylpyrazole-5-carboxamide
CID 46963307
tert-butyl 1-methyl-3-piperidin-4-ylpyrazole-5-carboxylate
CID 125458178
3-cyclopropyl-1-(2,4-dimethylphenyl)pyrazole-5-carboxylic acid
CID 83731165
3-cyclopropyl-1-(4-fluorophenyl)pyrazole-5-carboxylic acid
CID 82376267
methyl N-(3-cyclopropyl-1-methylpyrazol-5-yl)carbamate
CID 134798076
1-(2-hydroxyethyl)-3-piperidin-4-ylpyrazole-5-carboxylic acid
CID 121211302
2-[4-[[(3-cyclopentyl-1-methylpyrazole-5-carbonyl)amino]methyl]cyclohexyl]acetic acid
CID 154848159

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-methylpyrazole-5-carboxylic acid;hydrochloride?
The IUPAC name of 3-cyclopropyl-1-methylpyrazole-5-carboxylic acid;hydrochloride (CID 133054193) is 3-cyclopropyl-1-methylpyrazole-5-carboxylic acid;hydrochloride.
What is the SMILES notation for 3-cyclopropyl-1-methylpyrazole-5-carboxylic acid;hydrochloride?
The canonical SMILES for 3-cyclopropyl-1-methylpyrazole-5-carboxylic acid;hydrochloride is Cl.Cn1nc(C2CC2)cc1C(=O)O.
What is the InChIKey of 3-cyclopropyl-1-methylpyrazole-5-carboxylic acid;hydrochloride?
The InChIKey is HATDENCACGKDBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2.ClH/c1-10-7(8(11)12)4-6(9-10)5-2-3-5;/h4-5H,2-3H2,1H3,(H,11,12);1H.
What are the key properties of 3-cyclopropyl-1-methylpyrazole-5-carboxylic acid;hydrochloride?
3-cyclopropyl-1-methylpyrazole-5-carboxylic acid;hydrochloride has a molecular weight of 202.64 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-methylpyrazole-5-carboxylic acid;hydrochloride is sourced from PubChem (CID 133054193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).