2-(4-aminopyrazol-1-yl)-2-methylpropanenitrile

C7H10N4 — CID 90104931

IUPAC2-(4-aminopyrazol-1-yl)-2-methylpropanenitrile
SMILESCC(C)(C#N)n1cc(N)cn1
InChIInChI=1S/C7H10N4/c1-7(2,5-8)11-4-6(9)3-10-11/h3-4H,9H2,1-2H3
InChIKeyPDZBAFFVRSPDSR-UHFFFAOYSA-N
MW150.18 g/mol
LogP0.72
Rot. Bonds1

About 2-(4-aminopyrazol-1-yl)-2-methylpropanenitrile

2-(4-aminopyrazol-1-yl)-2-methylpropanenitrile (PubChem CID 90104931) has the molecular formula C7H10N4 and a molecular weight of 150.18 g/mol. Its IUPAC name is 2-(4-aminopyrazol-1-yl)-2-methylpropanenitrile.

Molecular Properties

Compound Name2-(4-aminopyrazol-1-yl)-2-methylpropanenitrile
PubChem CID90104931
Molecular FormulaC7H10N4
Molecular Weight150.18 g/mol
Exact Mass150.09
IUPAC Name2-(4-aminopyrazol-1-yl)-2-methylpropanenitrile
SMILESCC(C)(C#N)n1cc(N)cn1
InChIInChI=1S/C7H10N4/c1-7(2,5-8)11-4-6(9)3-10-11/h3-4H,9H2,1-2H3
InChIKeyPDZBAFFVRSPDSR-UHFFFAOYSA-N
XLogP0.72
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-amino-3-methylpyrazol-1-yl)-2-methylpropanenitrile
CID 118365761
1-tert-butylpyrazole-4-carbonitrile
CID 10953684
2-(4-aminopyrazol-1-yl)-N-ethyl-2-methylpropanamide
CID 90104259
3-(4-aminopyrazol-1-yl)butanenitrile
CID 51000310
2-[(1-tert-butylpyrazol-4-yl)methyl]-2-(2-methylprop-2-enyl)propanedinitrile
CID 89006241
1-propan-2-ylpyrazol-4-amine;dihydrochloride
CID 122360212
2-methyl-2-[4-[(2-oxo-1H-quinolin-3-yl)methyl]pyrazol-1-yl]propanenitrile
CID 166457794
2-(4-tert-butyl-5-methylpyrazol-1-yl)-2-methylpropanenitrile
CID 165385872
1-(4-aminopyrazol-1-yl)-2-methylpropan-2-ol;ethane
CID 178006220
N-[5-[1-(2-cyanopropan-2-yl)pyrazol-4-yl]-2-pyridinyl]-2-phenylacetamide
CID 139426258
3-(1-tert-butylpyrazol-4-yl)aniline
CID 105468990
1-(4-aminopyrazol-1-yl)-3-[3,3-dimethylbutan-2-yl(methyl)amino]propan-2-ol
CID 55007027

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminopyrazol-1-yl)-2-methylpropanenitrile?
The IUPAC name of 2-(4-aminopyrazol-1-yl)-2-methylpropanenitrile (CID 90104931) is 2-(4-aminopyrazol-1-yl)-2-methylpropanenitrile.
What is the SMILES notation for 2-(4-aminopyrazol-1-yl)-2-methylpropanenitrile?
The canonical SMILES for 2-(4-aminopyrazol-1-yl)-2-methylpropanenitrile is CC(C)(C#N)n1cc(N)cn1.
What is the InChIKey of 2-(4-aminopyrazol-1-yl)-2-methylpropanenitrile?
The InChIKey is PDZBAFFVRSPDSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4/c1-7(2,5-8)11-4-6(9)3-10-11/h3-4H,9H2,1-2H3.
What are the key properties of 2-(4-aminopyrazol-1-yl)-2-methylpropanenitrile?
2-(4-aminopyrazol-1-yl)-2-methylpropanenitrile has a molecular weight of 150.18 g/mol, XLogP of 0.72, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminopyrazol-1-yl)-2-methylpropanenitrile is sourced from PubChem (CID 90104931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).