5-(2-cyclopropylpropan-2-yl)-1H-pyrazole-4-carboxylic acid

C10H14N2O2 — CID 155271967

IUPAC5-(2-cyclopropylpropan-2-yl)-1H-pyrazole-4-carboxylic acid
SMILESCC(C)(c1[nH]ncc1C(=O)O)C1CC1
InChIInChI=1S/C10H14N2O2/c1-10(2,6-3-4-6)8-7(9(13)14)5-11-12-8/h5-6H,3-4H2,1-2H3,(H,11,12)(H,13,14)
InChIKeyXVLFCUNLRRFPAU-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.80
Rot. Bonds3

About 5-(2-cyclopropylpropan-2-yl)-1H-pyrazole-4-carboxylic acid

5-(2-cyclopropylpropan-2-yl)-1H-pyrazole-4-carboxylic acid (PubChem CID 155271967) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 5-(2-cyclopropylpropan-2-yl)-1H-pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(2-cyclopropylpropan-2-yl)-1H-pyrazole-4-carboxylic acid
PubChem CID155271967
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name5-(2-cyclopropylpropan-2-yl)-1H-pyrazole-4-carboxylic acid
SMILESCC(C)(c1[nH]ncc1C(=O)O)C1CC1
InChIInChI=1S/C10H14N2O2/c1-10(2,6-3-4-6)8-7(9(13)14)5-11-12-8/h5-6H,3-4H2,1-2H3,(H,11,12)(H,13,14)
InChIKeyXVLFCUNLRRFPAU-UHFFFAOYSA-N
XLogP1.80
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclohexyl-1H-pyrazole-4-carboxylic acid
CID 12140389
3-Isopropylpyrazole-4-carboxylic acid
CID 1503476
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CID 6484195
3-Cyclopropylpyrazole-4-carboxylic acid
CID 16217815
5-Ethyl-1H-pyrazole-4-carboxylic acid
CID 23005664
3-tert-butyl-1H-pyrazole-4-carboxylic acid
CID 28875599
3-(oxan-4-yl)-1H-pyrazole-4-carboxylic acid
CID 82399785
5-cyclobutyl-1H-pyrazole-4-carboxylic acid
CID 82414348
5-(1,1-difluoroethyl)-1H-pyrazole-4-carboxylic acid
CID 142248553
5-(1-cyclopropyl-2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxylic acid
CID 155271724
5-[4-[(2,2,2-trifluoroacetyl)oxymethyl]cyclohexyl]-1H-pyrazole-4-carboxylic acid
CID 174216038
5-(1-fluorohexa-1,5-dien-3-yl)-1H-pyrazole-4-carboxylic acid
CID 174737140

Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclopropylpropan-2-yl)-1H-pyrazole-4-carboxylic acid?
The IUPAC name of 5-(2-cyclopropylpropan-2-yl)-1H-pyrazole-4-carboxylic acid (CID 155271967) is 5-(2-cyclopropylpropan-2-yl)-1H-pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-(2-cyclopropylpropan-2-yl)-1H-pyrazole-4-carboxylic acid?
The canonical SMILES for 5-(2-cyclopropylpropan-2-yl)-1H-pyrazole-4-carboxylic acid is CC(C)(c1[nH]ncc1C(=O)O)C1CC1.
What is the InChIKey of 5-(2-cyclopropylpropan-2-yl)-1H-pyrazole-4-carboxylic acid?
The InChIKey is XVLFCUNLRRFPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-10(2,6-3-4-6)8-7(9(13)14)5-11-12-8/h5-6H,3-4H2,1-2H3,(H,11,12)(H,13,14).
What are the key properties of 5-(2-cyclopropylpropan-2-yl)-1H-pyrazole-4-carboxylic acid?
5-(2-cyclopropylpropan-2-yl)-1H-pyrazole-4-carboxylic acid has a molecular weight of 194.23 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyclopropylpropan-2-yl)-1H-pyrazole-4-carboxylic acid is sourced from PubChem (CID 155271967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).