3-[4-(3-hydroxypropyl)pyrazol-1-yl]propanenitrile

C9H13N3O — CID 62718415

IUPAC3-[4-(3-hydroxypropyl)pyrazol-1-yl]propanenitrile
SMILESN#CCCn1cc(CCCO)cn1
InChIInChI=1S/C9H13N3O/c10-4-2-5-12-8-9(7-11-12)3-1-6-13/h7-8,13H,1-3,5-6H2
InChIKeyZAJFUQZYJZCGDI-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.72
Rot. Bonds5

About 3-[4-(3-hydroxypropyl)pyrazol-1-yl]propanenitrile

3-[4-(3-hydroxypropyl)pyrazol-1-yl]propanenitrile (PubChem CID 62718415) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 3-[4-(3-hydroxypropyl)pyrazol-1-yl]propanenitrile.

Molecular Properties

Compound Name3-[4-(3-hydroxypropyl)pyrazol-1-yl]propanenitrile
PubChem CID62718415
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name3-[4-(3-hydroxypropyl)pyrazol-1-yl]propanenitrile
SMILESN#CCCn1cc(CCCO)cn1
InChIInChI=1S/C9H13N3O/c10-4-2-5-12-8-9(7-11-12)3-1-6-13/h7-8,13H,1-3,5-6H2
InChIKeyZAJFUQZYJZCGDI-UHFFFAOYSA-N
XLogP0.72
TPSA61.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-[3-(2-methylpropylamino)propyl]pyrazol-1-yl]propanenitrile
CID 55111453
3-(1-ethylpyrazol-4-yl)propanenitrile
CID 62128053
2-[4-(3-aminopropyl)pyrazol-1-yl]acetonitrile
CID 122240562
3-(4-acetylpyrazol-1-yl)propanenitrile
CID 122240670
2-[4-(3-hydroxypropyl)pyrazol-1-yl]-1-pyrrolidin-1-ylethanone
CID 122240516
3-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]propan-1-ol
CID 63272329
1,4-dipentylpyrazole
CID 70562897
tert-butyl 2-[4-(3-hydroxypropyl)pyrazol-1-yl]acetate
CID 122240642
[1-(2-chloroethyl)pyrazol-4-yl]methanol
CID 4711793
3-[4-(4-fluorophenyl)pyrazol-1-yl]propanenitrile
CID 79016874
ethyl 1-(2-cyanoethyl)pyrazole-4-carboxylate
CID 71756324
4-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]benzonitrile
CID 64829940

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-hydroxypropyl)pyrazol-1-yl]propanenitrile?
The IUPAC name of 3-[4-(3-hydroxypropyl)pyrazol-1-yl]propanenitrile (CID 62718415) is 3-[4-(3-hydroxypropyl)pyrazol-1-yl]propanenitrile.
What is the SMILES notation for 3-[4-(3-hydroxypropyl)pyrazol-1-yl]propanenitrile?
The canonical SMILES for 3-[4-(3-hydroxypropyl)pyrazol-1-yl]propanenitrile is N#CCCn1cc(CCCO)cn1.
What is the InChIKey of 3-[4-(3-hydroxypropyl)pyrazol-1-yl]propanenitrile?
The InChIKey is ZAJFUQZYJZCGDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c10-4-2-5-12-8-9(7-11-12)3-1-6-13/h7-8,13H,1-3,5-6H2.
What are the key properties of 3-[4-(3-hydroxypropyl)pyrazol-1-yl]propanenitrile?
3-[4-(3-hydroxypropyl)pyrazol-1-yl]propanenitrile has a molecular weight of 179.22 g/mol, XLogP of 0.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-hydroxypropyl)pyrazol-1-yl]propanenitrile is sourced from PubChem (CID 62718415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).