2-cyclopropyl-3-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-(propylamino)propanenitrile

C16H26N4 — CID 63906467

IUPAC2-cyclopropyl-3-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-(propylamino)propanenitrile
SMILESCCCNC(C#N)(Cn1nc(C)c(CC)c1C)C1CC1
InChIInChI=1S/C16H26N4/c1-5-9-18-16(10-17,14-7-8-14)11-20-13(4)15(6-2)12(3)19-20/h14,18H,5-9,11H2,1-4H3
InChIKeyQZADMNDBDYMULV-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.73
Rot. Bonds7

About 2-cyclopropyl-3-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-(propylamino)propanenitrile

2-cyclopropyl-3-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-(propylamino)propanenitrile (PubChem CID 63906467) has the molecular formula C16H26N4 and a molecular weight of 274.41 g/mol. Its IUPAC name is 2-cyclopropyl-3-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-(propylamino)propanenitrile.

Molecular Properties

Compound Name2-cyclopropyl-3-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-(propylamino)propanenitrile
PubChem CID63906467
Molecular FormulaC16H26N4
Molecular Weight274.41 g/mol
Exact Mass274.22
IUPAC Name2-cyclopropyl-3-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-(propylamino)propanenitrile
SMILESCCCNC(C#N)(Cn1nc(C)c(CC)c1C)C1CC1
InChIInChI=1S/C16H26N4/c1-5-9-18-16(10-17,14-7-8-14)11-20-13(4)15(6-2)12(3)19-20/h14,18H,5-9,11H2,1-4H3
InChIKeyQZADMNDBDYMULV-UHFFFAOYSA-N
XLogP2.73
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-3-(3,5-dimethylpyrazol-1-yl)-2-(propylamino)propanenitrile
CID 63907939
2-cyclopropyl-2-(propan-2-ylamino)-3-(3,4,5-trimethylpyrazol-1-yl)propanenitrile
CID 63905645
2-cyclopropyl-3-(4-methylpiperidin-1-yl)-2-(propylamino)propanenitrile
CID 63913937
3-(2-azabicyclo[2.2.1]heptan-2-yl)-2-cyclopropyl-2-(propylamino)propanenitrile
CID 63913340
2-amino-2-cyclopropyl-3-(4-ethyl-3,5-dimethylpyrazol-1-yl)propanamide
CID 63919904
methyl 2-amino-2-cyclopropyl-3-(4-ethyl-3,5-dimethylpyrazol-1-yl)propanoate
CID 63919117
1-[5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]oxolan-2-yl]-N-methylmethanamine
CID 62440987
2-cyclopropyl-3-(3-methylpiperidin-1-yl)-2-(propylamino)propanenitrile
CID 63912194
2-cyclopropyl-3-(2,4-dimethylpiperidin-1-yl)-2-(propylamino)propanenitrile
CID 63913581
2-cyclopropyl-2-(propylamino)-3-(2,2,6,6-tetramethylmorpholin-4-yl)propanenitrile
CID 102745431
2-cyclopropyl-3-methoxy-2-(propylamino)propanenitrile
CID 63907134
2-cyclopropyl-3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-(propylamino)propanenitrile
CID 63907621

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-(propylamino)propanenitrile?
The IUPAC name of 2-cyclopropyl-3-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-(propylamino)propanenitrile (CID 63906467) is 2-cyclopropyl-3-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-(propylamino)propanenitrile.
What is the SMILES notation for 2-cyclopropyl-3-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-(propylamino)propanenitrile?
The canonical SMILES for 2-cyclopropyl-3-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-(propylamino)propanenitrile is CCCNC(C#N)(Cn1nc(C)c(CC)c1C)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-(propylamino)propanenitrile?
The InChIKey is QZADMNDBDYMULV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4/c1-5-9-18-16(10-17,14-7-8-14)11-20-13(4)15(6-2)12(3)19-20/h14,18H,5-9,11H2,1-4H3.
What are the key properties of 2-cyclopropyl-3-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-(propylamino)propanenitrile?
2-cyclopropyl-3-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-(propylamino)propanenitrile has a molecular weight of 274.41 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-(propylamino)propanenitrile is sourced from PubChem (CID 63906467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).