5-[1-(cyclopropylmethyl)pyrazol-4-yl]thiophene-3-carboxylic acid

C12H12N2O2S — CID 170456840

IUPAC5-[1-(cyclopropylmethyl)pyrazol-4-yl]thiophene-3-carboxylic acid
SMILESO=C(O)c1csc(-c2cnn(CC3CC3)c2)c1
InChIInChI=1S/C12H12N2O2S/c15-12(16)9-3-11(17-7-9)10-4-13-14(6-10)5-8-1-2-8/h3-4,6-8H,1-2,5H2,(H,15,16)
InChIKeyDXGNXKBLJKLZHX-UHFFFAOYSA-N
MW248.31 g/mol
LogP2.72
Rot. Bonds4

About 5-[1-(cyclopropylmethyl)pyrazol-4-yl]thiophene-3-carboxylic acid

5-[1-(cyclopropylmethyl)pyrazol-4-yl]thiophene-3-carboxylic acid (PubChem CID 170456840) has the molecular formula C12H12N2O2S and a molecular weight of 248.31 g/mol. Its IUPAC name is 5-[1-(cyclopropylmethyl)pyrazol-4-yl]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name5-[1-(cyclopropylmethyl)pyrazol-4-yl]thiophene-3-carboxylic acid
PubChem CID170456840
Molecular FormulaC12H12N2O2S
Molecular Weight248.31 g/mol
Exact Mass248.06
IUPAC Name5-[1-(cyclopropylmethyl)pyrazol-4-yl]thiophene-3-carboxylic acid
SMILESO=C(O)c1csc(-c2cnn(CC3CC3)c2)c1
InChIInChI=1S/C12H12N2O2S/c15-12(16)9-3-11(17-7-9)10-4-13-14(6-10)5-8-1-2-8/h3-4,6-8H,1-2,5H2,(H,15,16)
InChIKeyDXGNXKBLJKLZHX-UHFFFAOYSA-N
XLogP2.72
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-Cyanoethyl)-3-thiophen-2-ylpyrazole-4-carboxylic acid
CID 2473254
4-[(4-chloro-1H-pyrazol-1-yl)methyl]thiophene-2-carboxylic acid
CID 19620559
1-methyl-3-(thiophen-2-yl)-1H-pyrazole-4-carboxylic acid
CID 42281966
4-(1H-pyrazol-1-ylmethyl)thiophene-2-carboxylic acid
CID 19616591
5-(1H-pyrazol-4-yl)thiophene-3-carboxylic acid hydrochloride
CID 137951755
5-[[Methyl(2-pyrazol-1-ylethyl)amino]methyl]thiophene-2-carboxylic acid
CID 138003896
4-(4-fluoro-1-methyl-1H-pyrazol-5-yl)-2-thiophenecarboxylic Acid
CID 57826536
5-(1H-Pyrazol-4-YL)thiophene-3-carboxylic acid
CID 58110193
3-[1-[2-(4-Fluorophenyl)ethyl]pyrazol-3-yl]thiophene-2-carboxylic acid
CID 141085072
5-[4-Methyl-1-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxylic acid
CID 141619196
1-[(4-Fluorophenyl)methyl]-3-thiophen-3-ylpyrazole-4-carboxylic acid
CID 63275443
1-[(3-Fluorophenyl)methyl]-3-thiophen-3-ylpyrazole-4-carboxylic acid
CID 63278511

Frequently Asked Questions

What is the IUPAC name of 5-[1-(cyclopropylmethyl)pyrazol-4-yl]thiophene-3-carboxylic acid?
The IUPAC name of 5-[1-(cyclopropylmethyl)pyrazol-4-yl]thiophene-3-carboxylic acid (CID 170456840) is 5-[1-(cyclopropylmethyl)pyrazol-4-yl]thiophene-3-carboxylic acid.
What is the SMILES notation for 5-[1-(cyclopropylmethyl)pyrazol-4-yl]thiophene-3-carboxylic acid?
The canonical SMILES for 5-[1-(cyclopropylmethyl)pyrazol-4-yl]thiophene-3-carboxylic acid is O=C(O)c1csc(-c2cnn(CC3CC3)c2)c1.
What is the InChIKey of 5-[1-(cyclopropylmethyl)pyrazol-4-yl]thiophene-3-carboxylic acid?
The InChIKey is DXGNXKBLJKLZHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2S/c15-12(16)9-3-11(17-7-9)10-4-13-14(6-10)5-8-1-2-8/h3-4,6-8H,1-2,5H2,(H,15,16).
What are the key properties of 5-[1-(cyclopropylmethyl)pyrazol-4-yl]thiophene-3-carboxylic acid?
5-[1-(cyclopropylmethyl)pyrazol-4-yl]thiophene-3-carboxylic acid has a molecular weight of 248.31 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(cyclopropylmethyl)pyrazol-4-yl]thiophene-3-carboxylic acid is sourced from PubChem (CID 170456840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).