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

C10H14N2O2 — CID 71757852

IUPAC1-(1-cyclopropylethyl)-5-methylpyrazole-3-carboxylic acid
SMILESCc1cc(C(=O)O)nn1C(C)C1CC1
InChIInChI=1S/C10H14N2O2/c1-6-5-9(10(13)14)11-12(6)7(2)8-3-4-8/h5,7-8H,3-4H2,1-2H3,(H,13,14)
InChIKeyDHYDNNBBTZBCNI-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.86
Rot. Bonds3

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

1-(1-cyclopropylethyl)-5-methylpyrazole-3-carboxylic acid (PubChem CID 71757852) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 1-(1-cyclopropylethyl)-5-methylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-(1-cyclopropylethyl)-5-methylpyrazole-3-carboxylic acid
PubChem CID71757852
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name1-(1-cyclopropylethyl)-5-methylpyrazole-3-carboxylic acid
SMILESCc1cc(C(=O)O)nn1C(C)C1CC1
InChIInChI=1S/C10H14N2O2/c1-6-5-9(10(13)14)11-12(6)7(2)8-3-4-8/h5,7-8H,3-4H2,1-2H3,(H,13,14)
InChIKeyDHYDNNBBTZBCNI-UHFFFAOYSA-N
XLogP1.86
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(1R)-1-cyclopropylethyl]-5-methylpyrazol-3-yl]-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone
CID 129358698
[1-[(1R)-1-cyclopropylethyl]-5-methylpyrazol-3-yl]-[(3S)-3-phenylmorpholin-4-yl]methanone
CID 129358344
[1-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]-(4-methyl-4-morpholin-4-ylpiperidin-1-yl)methanone
CID 136555336
[1-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 127757987
N-(4-carbamoyloxan-4-yl)-1-(1-cyclopropylethyl)-5-methylpyrazole-3-carboxamide
CID 126802260
1-(1-cyclopropylethyl)-5-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)pyrazole-3-carboxamide
CID 127758471
1-(1-cyclopropylethyl)-N-(5-isocyano-2-methylphenyl)-5-methylpyrazole-3-carboxamide
CID 164996046
3-[[1-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]carbamoylamino]propanoic acid
CID 122089514
1-(cyclopropylmethyl)-5-methylpyrazole-3-carboxylic acid
CID 90351295
2-(1-cyclopropylethyl)pyrazole-3-carboxylic acid
CID 164806432
1-propan-2-ylpyrazole-3,5-dicarboxylic acid
CID 117215590
1-amino-5-methylpyrazole-3-carboxylic acid
CID 22099274

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropylethyl)-5-methylpyrazole-3-carboxylic acid?
The IUPAC name of 1-(1-cyclopropylethyl)-5-methylpyrazole-3-carboxylic acid (CID 71757852) is 1-(1-cyclopropylethyl)-5-methylpyrazole-3-carboxylic acid.
What is the SMILES notation for 1-(1-cyclopropylethyl)-5-methylpyrazole-3-carboxylic acid?
The canonical SMILES for 1-(1-cyclopropylethyl)-5-methylpyrazole-3-carboxylic acid is Cc1cc(C(=O)O)nn1C(C)C1CC1.
What is the InChIKey of 1-(1-cyclopropylethyl)-5-methylpyrazole-3-carboxylic acid?
The InChIKey is DHYDNNBBTZBCNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-6-5-9(10(13)14)11-12(6)7(2)8-3-4-8/h5,7-8H,3-4H2,1-2H3,(H,13,14).
What are the key properties of 1-(1-cyclopropylethyl)-5-methylpyrazole-3-carboxylic acid?
1-(1-cyclopropylethyl)-5-methylpyrazole-3-carboxylic acid has a molecular weight of 194.23 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropylethyl)-5-methylpyrazole-3-carboxylic acid is sourced from PubChem (CID 71757852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).