2-cyclopropyl-3-(3,5-dimethylpyrazol-1-yl)-2-(propylamino)propanenitrile

C14H22N4 — CID 63907939

IUPAC2-cyclopropyl-3-(3,5-dimethylpyrazol-1-yl)-2-(propylamino)propanenitrile
SMILESCCCNC(C#N)(Cn1nc(C)cc1C)C1CC1
InChIInChI=1S/C14H22N4/c1-4-7-16-14(9-15,13-5-6-13)10-18-12(3)8-11(2)17-18/h8,13,16H,4-7,10H2,1-3H3
InChIKeyFODPZRMAHIFBGY-UHFFFAOYSA-N
MW246.36 g/mol
LogP2.17
Rot. Bonds6

About 2-cyclopropyl-3-(3,5-dimethylpyrazol-1-yl)-2-(propylamino)propanenitrile

2-cyclopropyl-3-(3,5-dimethylpyrazol-1-yl)-2-(propylamino)propanenitrile (PubChem CID 63907939) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is 2-cyclopropyl-3-(3,5-dimethylpyrazol-1-yl)-2-(propylamino)propanenitrile.

Molecular Properties

Compound Name2-cyclopropyl-3-(3,5-dimethylpyrazol-1-yl)-2-(propylamino)propanenitrile
PubChem CID63907939
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC Name2-cyclopropyl-3-(3,5-dimethylpyrazol-1-yl)-2-(propylamino)propanenitrile
SMILESCCCNC(C#N)(Cn1nc(C)cc1C)C1CC1
InChIInChI=1S/C14H22N4/c1-4-7-16-14(9-15,13-5-6-13)10-18-12(3)8-11(2)17-18/h8,13,16H,4-7,10H2,1-3H3
InChIKeyFODPZRMAHIFBGY-UHFFFAOYSA-N
XLogP2.17
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-cyclopropyl-3-(3,5-dimethylpyrazol-1-yl)-2-(propylamino)propanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-cyclopropyl-2-(propylamino)-3-(2,2,6,6-tetramethylmorpholin-4-yl)propanenitrile
CID 102745431
2-cyclopropyl-2-(cyclopropylamino)-3-(3,5-dimethylpyrazol-1-yl)propan-1-ol
CID 64809430
1-(2,2-dimethylpropyl)-3,5-dimethylpyrazole
CID 20774327
2-cyclopropyl-2-(propan-2-ylamino)-3-(3,4,5-trimethylpyrazol-1-yl)propanenitrile
CID 63905645
2-cyclopropyl-3-(3,5-dimethylcyclohexyl)oxy-2-(propylamino)propanenitrile
CID 64728826
3-(cyclopentylmethylsulfanyl)-2-cyclopropyl-2-(propylamino)propanenitrile
CID 63907051
2-cyclopropyl-2-(cyclopropylamino)-3-(2,5-dimethylpyrazol-3-yl)sulfanylpropanenitrile
CID 63907221
1-ethyl-3,5-dimethylpyrazole
CID 565993
3-(4-chloropyrazol-1-yl)-2-cyclopropyl-2-(ethylamino)propanenitrile
CID 63907728
3-[butyl(methyl)amino]-2-cyclopropyl-2-(propylamino)propanenitrile
CID 63914354
2-cyclopropyl-3-[2-(2-methoxyethoxy)ethoxy]-2-(propylamino)propanenitrile
CID 104564930
3-[3-(3,5-dimethylpyrazol-1-yl)propylamino]propanenitrile
CID 115571469

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(3,5-dimethylpyrazol-1-yl)-2-(propylamino)propanenitrile?
The IUPAC name of 2-cyclopropyl-3-(3,5-dimethylpyrazol-1-yl)-2-(propylamino)propanenitrile (CID 63907939) is 2-cyclopropyl-3-(3,5-dimethylpyrazol-1-yl)-2-(propylamino)propanenitrile.
What is the SMILES notation for 2-cyclopropyl-3-(3,5-dimethylpyrazol-1-yl)-2-(propylamino)propanenitrile?
The canonical SMILES for 2-cyclopropyl-3-(3,5-dimethylpyrazol-1-yl)-2-(propylamino)propanenitrile is CCCNC(C#N)(Cn1nc(C)cc1C)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-(3,5-dimethylpyrazol-1-yl)-2-(propylamino)propanenitrile?
The InChIKey is FODPZRMAHIFBGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-4-7-16-14(9-15,13-5-6-13)10-18-12(3)8-11(2)17-18/h8,13,16H,4-7,10H2,1-3H3.
What are the key properties of 2-cyclopropyl-3-(3,5-dimethylpyrazol-1-yl)-2-(propylamino)propanenitrile?
2-cyclopropyl-3-(3,5-dimethylpyrazol-1-yl)-2-(propylamino)propanenitrile has a molecular weight of 246.36 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(3,5-dimethylpyrazol-1-yl)-2-(propylamino)propanenitrile is sourced from PubChem (CID 63907939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).