2-(cyclopropylamino)-3-(3,5-diethylpyrazol-1-yl)-2-methylpropanenitrile

C14H22N4 — CID 82694605

IUPAC2-(cyclopropylamino)-3-(3,5-diethylpyrazol-1-yl)-2-methylpropanenitrile
SMILESCCc1cc(CC)n(CC(C)(C#N)NC2CC2)n1
InChIInChI=1S/C14H22N4/c1-4-11-8-13(5-2)18(17-11)10-14(3,9-15)16-12-6-7-12/h8,12,16H,4-7,10H2,1-3H3
InChIKeyWSOBBTYQCJQXBV-UHFFFAOYSA-N
MW246.36 g/mol
LogP2.04
Rot. Bonds6

About 2-(cyclopropylamino)-3-(3,5-diethylpyrazol-1-yl)-2-methylpropanenitrile

2-(cyclopropylamino)-3-(3,5-diethylpyrazol-1-yl)-2-methylpropanenitrile (PubChem CID 82694605) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is 2-(cyclopropylamino)-3-(3,5-diethylpyrazol-1-yl)-2-methylpropanenitrile.

Molecular Properties

Compound Name2-(cyclopropylamino)-3-(3,5-diethylpyrazol-1-yl)-2-methylpropanenitrile
PubChem CID82694605
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC Name2-(cyclopropylamino)-3-(3,5-diethylpyrazol-1-yl)-2-methylpropanenitrile
SMILESCCc1cc(CC)n(CC(C)(C#N)NC2CC2)n1
InChIInChI=1S/C14H22N4/c1-4-11-8-13(5-2)18(17-11)10-14(3,9-15)16-12-6-7-12/h8,12,16H,4-7,10H2,1-3H3
InChIKeyWSOBBTYQCJQXBV-UHFFFAOYSA-N
XLogP2.04
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 ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(cyclopropylamino)-4-(3,5-diethylpyrazol-1-yl)-2-methylbutanoate
CID 82699135
5-(3,5-diethylpyrazol-1-yl)-2,2-dimethylpentanenitrile
CID 82692715
1-(3,3-dimethylbutyl)-3,5-diethylpyrazole
CID 82698927
2-(cyclopropylamino)-4-(3,5-diethylpyrazol-1-yl)butan-1-ol
CID 82698967
N-[[2-[(1,3-diethylpyrazol-5-yl)methyl]cyclobutyl]methyl]cyclopropanamine
CID 81017024
2-(cyclopropylamino)-4-(2-ethylimidazol-1-yl)-2-methylpentanenitrile
CID 64727747
methyl 3-(3,5-diethylpyrazol-1-yl)-2-methyl-2-(methylamino)propanoate
CID 82695143
5-[(3,5-diethylpyrazol-1-yl)methyl]-N-propylpyrazin-2-amine
CID 103057590
3,5-diethyl-1-propylpyrazole
CID 82699697
N-[[2-[(1,3-diethylpyrazol-5-yl)methyl]cyclopentyl]methyl]cyclopropanamine
CID 81033085
1-(cyclopropylamino)-3-(3,5-diethylpyrazol-1-yl)cyclohexane-1-carbonitrile
CID 82698987
tris(3,5-diethylpyrazol-1-yl) borate
CID 91267043

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-3-(3,5-diethylpyrazol-1-yl)-2-methylpropanenitrile?
The IUPAC name of 2-(cyclopropylamino)-3-(3,5-diethylpyrazol-1-yl)-2-methylpropanenitrile (CID 82694605) is 2-(cyclopropylamino)-3-(3,5-diethylpyrazol-1-yl)-2-methylpropanenitrile.
What is the SMILES notation for 2-(cyclopropylamino)-3-(3,5-diethylpyrazol-1-yl)-2-methylpropanenitrile?
The canonical SMILES for 2-(cyclopropylamino)-3-(3,5-diethylpyrazol-1-yl)-2-methylpropanenitrile is CCc1cc(CC)n(CC(C)(C#N)NC2CC2)n1.
What is the InChIKey of 2-(cyclopropylamino)-3-(3,5-diethylpyrazol-1-yl)-2-methylpropanenitrile?
The InChIKey is WSOBBTYQCJQXBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-4-11-8-13(5-2)18(17-11)10-14(3,9-15)16-12-6-7-12/h8,12,16H,4-7,10H2,1-3H3.
What are the key properties of 2-(cyclopropylamino)-3-(3,5-diethylpyrazol-1-yl)-2-methylpropanenitrile?
2-(cyclopropylamino)-3-(3,5-diethylpyrazol-1-yl)-2-methylpropanenitrile has a molecular weight of 246.36 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-3-(3,5-diethylpyrazol-1-yl)-2-methylpropanenitrile is sourced from PubChem (CID 82694605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).