3-(3,5-diethyl-1H-pyrazol-4-yl)propanenitrile

C10H15N3 — CID 121212862

IUPAC3-(3,5-diethyl-1H-pyrazol-4-yl)propanenitrile
SMILESCCc1n[nH]c(CC)c1CCC#N
InChIInChI=1S/C10H15N3/c1-3-9-8(6-5-7-11)10(4-2)13-12-9/h3-6H2,1-2H3,(H,12,13)
InChIKeyLKGXQPDMWJBIIT-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.99
Rot. Bonds4

About 3-(3,5-diethyl-1H-pyrazol-4-yl)propanenitrile

3-(3,5-diethyl-1H-pyrazol-4-yl)propanenitrile (PubChem CID 121212862) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is 3-(3,5-diethyl-1H-pyrazol-4-yl)propanenitrile.

Molecular Properties

Compound Name3-(3,5-diethyl-1H-pyrazol-4-yl)propanenitrile
PubChem CID121212862
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC Name3-(3,5-diethyl-1H-pyrazol-4-yl)propanenitrile
SMILESCCc1n[nH]c(CC)c1CCC#N
InChIInChI=1S/C10H15N3/c1-3-9-8(6-5-7-11)10(4-2)13-12-9/h3-6H2,1-2H3,(H,12,13)
InChIKeyLKGXQPDMWJBIIT-UHFFFAOYSA-N
XLogP1.99
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-cyclopropyl-5-ethyl-1H-pyrazol-4-yl)propanenitrile
CID 121212864
3-(3-cyclobutyl-5-ethyl-1H-pyrazol-4-yl)propanenitrile
CID 121212865
3-(5-ethyl-3-pyridin-4-yl-1H-pyrazol-4-yl)propanenitrile
CID 121212239
4-(chloromethyl)-3,5-diethyl-1H-pyrazole
CID 121212823
3-[3,5-di(propan-2-yl)-1H-pyrazol-4-yl]propanenitrile
CID 121213114
3-(5-methyl-3-propan-2-yl-1H-pyrazol-4-yl)propanenitrile
CID 121212763
3,4,5-trioctyl-1H-pyrazole
CID 139676561
3,4,5-trihexyl-1H-pyrazole
CID 139676560
3-(4-ethyl-1,2,5-thiadiazol-3-yl)propanenitrile
CID 163999143
4-(bromomethyl)-3-ethyl-5-(2-methylpropyl)-1H-pyrazole
CID 121211454
4-(3,5-diethyl-1H-pyrazol-4-yl)pyridine
CID 102266456
1-(3-ethyl-5-methyl-1H-pyrazol-4-yl)-N-methylmethanamine
CID 54851004

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-diethyl-1H-pyrazol-4-yl)propanenitrile?
The IUPAC name of 3-(3,5-diethyl-1H-pyrazol-4-yl)propanenitrile (CID 121212862) is 3-(3,5-diethyl-1H-pyrazol-4-yl)propanenitrile.
What is the SMILES notation for 3-(3,5-diethyl-1H-pyrazol-4-yl)propanenitrile?
The canonical SMILES for 3-(3,5-diethyl-1H-pyrazol-4-yl)propanenitrile is CCc1n[nH]c(CC)c1CCC#N.
What is the InChIKey of 3-(3,5-diethyl-1H-pyrazol-4-yl)propanenitrile?
The InChIKey is LKGXQPDMWJBIIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3/c1-3-9-8(6-5-7-11)10(4-2)13-12-9/h3-6H2,1-2H3,(H,12,13).
What are the key properties of 3-(3,5-diethyl-1H-pyrazol-4-yl)propanenitrile?
3-(3,5-diethyl-1H-pyrazol-4-yl)propanenitrile has a molecular weight of 177.25 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-diethyl-1H-pyrazol-4-yl)propanenitrile is sourced from PubChem (CID 121212862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).