5-cyclopropyl-3-thiophen-3-yl-1H-pyrazole-4-carbonitrile

C11H9N3S — CID 121212434

IUPAC5-cyclopropyl-3-thiophen-3-yl-1H-pyrazole-4-carbonitrile
SMILESN#Cc1c(-c2ccsc2)n[nH]c1C1CC1
InChIInChI=1S/C11H9N3S/c12-5-9-10(7-1-2-7)13-14-11(9)8-3-4-15-6-8/h3-4,6-7H,1-2H2,(H,13,14)
InChIKeyRVXYFFRMZNCASI-UHFFFAOYSA-N
MW215.28 g/mol
LogP2.89
Rot. Bonds2

About 5-cyclopropyl-3-thiophen-3-yl-1H-pyrazole-4-carbonitrile

5-cyclopropyl-3-thiophen-3-yl-1H-pyrazole-4-carbonitrile (PubChem CID 121212434) has the molecular formula C11H9N3S and a molecular weight of 215.28 g/mol. Its IUPAC name is 5-cyclopropyl-3-thiophen-3-yl-1H-pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-cyclopropyl-3-thiophen-3-yl-1H-pyrazole-4-carbonitrile
PubChem CID121212434
Molecular FormulaC11H9N3S
Molecular Weight215.28 g/mol
Exact Mass215.05
IUPAC Name5-cyclopropyl-3-thiophen-3-yl-1H-pyrazole-4-carbonitrile
SMILESN#Cc1c(-c2ccsc2)n[nH]c1C1CC1
InChIInChI=1S/C11H9N3S/c12-5-9-10(7-1-2-7)13-14-11(9)8-3-4-15-6-8/h3-4,6-7H,1-2H2,(H,13,14)
InChIKeyRVXYFFRMZNCASI-UHFFFAOYSA-N
XLogP2.89
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-cyclopropyl-3-(furan-3-yl)-1H-pyrazole-4-carbonitrile
CID 121212603
(5-cyclobutyl-3-thiophen-3-yl-1H-pyrazol-4-yl)methanamine
CID 121212446
4-(5-piperidin-4-yl-3-thiophen-3-yl-1H-pyrazol-4-yl)pyridine
CID 22953836
3-amino-5-cyclopropyl-1H-pyrazole-4-carbonitrile
CID 82417639
N-[4-[4-cyano-3-(4-fluorophenyl)-1H-pyrazol-5-yl]cyclohexyl]-2-methylpropane-2-sulfonamide
CID 66596049
5-cyclopropyl-3-thiophen-3-yl-1H-pyrazole
CID 172892736
4-cyano-3-(3-cyanophenyl)-5-[4-(dimethylsulfamoylamino)cyclohexyl]-1H-pyrazole
CID 52918744
4,6-dihydroxy-2-thiophen-3-ylbenzene-1,3-dicarbonitrile
CID 141380406
3-thiophen-3-yl-6,7-dihydro-1H-indazole
CID 91102586
2-sulfanylidene-4-thiophen-3-yl-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carbonitrile
CID 178081699
(4-methyl-3-thiophen-3-yl-1H-pyrazol-5-yl)boronic acid
CID 67464322
5-methyl-3-pyridin-4-yl-1H-pyrazole-4-carbonitrile
CID 121212221

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3-thiophen-3-yl-1H-pyrazole-4-carbonitrile?
The IUPAC name of 5-cyclopropyl-3-thiophen-3-yl-1H-pyrazole-4-carbonitrile (CID 121212434) is 5-cyclopropyl-3-thiophen-3-yl-1H-pyrazole-4-carbonitrile.
What is the SMILES notation for 5-cyclopropyl-3-thiophen-3-yl-1H-pyrazole-4-carbonitrile?
The canonical SMILES for 5-cyclopropyl-3-thiophen-3-yl-1H-pyrazole-4-carbonitrile is N#Cc1c(-c2ccsc2)n[nH]c1C1CC1.
What is the InChIKey of 5-cyclopropyl-3-thiophen-3-yl-1H-pyrazole-4-carbonitrile?
The InChIKey is RVXYFFRMZNCASI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3S/c12-5-9-10(7-1-2-7)13-14-11(9)8-3-4-15-6-8/h3-4,6-7H,1-2H2,(H,13,14).
What are the key properties of 5-cyclopropyl-3-thiophen-3-yl-1H-pyrazole-4-carbonitrile?
5-cyclopropyl-3-thiophen-3-yl-1H-pyrazole-4-carbonitrile has a molecular weight of 215.28 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3-thiophen-3-yl-1H-pyrazole-4-carbonitrile is sourced from PubChem (CID 121212434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).