5-chloro-1-(1-cyclopropylethyl)-3-methylpyrazole-4-carbonitrile

C10H12ClN3 — CID 63788797

IUPAC5-chloro-1-(1-cyclopropylethyl)-3-methylpyrazole-4-carbonitrile
SMILESCc1nn(C(C)C2CC2)c(Cl)c1C#N
InChIInChI=1S/C10H12ClN3/c1-6-9(5-12)10(11)14(13-6)7(2)8-3-4-8/h7-8H,3-4H2,1-2H3
InChIKeyJJCAXMCJRCHFAD-UHFFFAOYSA-N
MW209.68 g/mol
LogP2.69
Rot. Bonds2

About 5-chloro-1-(1-cyclopropylethyl)-3-methylpyrazole-4-carbonitrile

5-chloro-1-(1-cyclopropylethyl)-3-methylpyrazole-4-carbonitrile (PubChem CID 63788797) has the molecular formula C10H12ClN3 and a molecular weight of 209.68 g/mol. Its IUPAC name is 5-chloro-1-(1-cyclopropylethyl)-3-methylpyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-chloro-1-(1-cyclopropylethyl)-3-methylpyrazole-4-carbonitrile
PubChem CID63788797
Molecular FormulaC10H12ClN3
Molecular Weight209.68 g/mol
Exact Mass209.07
IUPAC Name5-chloro-1-(1-cyclopropylethyl)-3-methylpyrazole-4-carbonitrile
SMILESCc1nn(C(C)C2CC2)c(Cl)c1C#N
InChIInChI=1S/C10H12ClN3/c1-6-9(5-12)10(11)14(13-6)7(2)8-3-4-8/h7-8H,3-4H2,1-2H3
InChIKeyJJCAXMCJRCHFAD-UHFFFAOYSA-N
XLogP2.69
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.68
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(1-cyclopropylethyl)-3-methylpyrazole-4-carbonitrile?
The IUPAC name of 5-chloro-1-(1-cyclopropylethyl)-3-methylpyrazole-4-carbonitrile (CID 63788797) is 5-chloro-1-(1-cyclopropylethyl)-3-methylpyrazole-4-carbonitrile.
What is the SMILES notation for 5-chloro-1-(1-cyclopropylethyl)-3-methylpyrazole-4-carbonitrile?
The canonical SMILES for 5-chloro-1-(1-cyclopropylethyl)-3-methylpyrazole-4-carbonitrile is Cc1nn(C(C)C2CC2)c(Cl)c1C#N.
What is the InChIKey of 5-chloro-1-(1-cyclopropylethyl)-3-methylpyrazole-4-carbonitrile?
The InChIKey is JJCAXMCJRCHFAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3/c1-6-9(5-12)10(11)14(13-6)7(2)8-3-4-8/h7-8H,3-4H2,1-2H3.
What are the key properties of 5-chloro-1-(1-cyclopropylethyl)-3-methylpyrazole-4-carbonitrile?
5-chloro-1-(1-cyclopropylethyl)-3-methylpyrazole-4-carbonitrile has a molecular weight of 209.68 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(1-cyclopropylethyl)-3-methylpyrazole-4-carbonitrile is sourced from PubChem (CID 63788797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).