3-(4-aminopyrazol-1-yl)butanenitrile

C7H10N4 — CID 51000310

IUPAC3-(4-aminopyrazol-1-yl)butanenitrile
SMILESCC(CC#N)n1cc(N)cn1
InChIInChI=1S/C7H10N4/c1-6(2-3-8)11-5-7(9)4-10-11/h4-6H,2,9H2,1H3
InChIKeyIMQVQCSXJXQJMY-UHFFFAOYSA-N
MW150.18 g/mol
LogP0.94
Rot. Bonds2

About 3-(4-aminopyrazol-1-yl)butanenitrile

3-(4-aminopyrazol-1-yl)butanenitrile (PubChem CID 51000310) has the molecular formula C7H10N4 and a molecular weight of 150.18 g/mol. Its IUPAC name is 3-(4-aminopyrazol-1-yl)butanenitrile.

Molecular Properties

Compound Name3-(4-aminopyrazol-1-yl)butanenitrile
PubChem CID51000310
Molecular FormulaC7H10N4
Molecular Weight150.18 g/mol
Exact Mass150.09
IUPAC Name3-(4-aminopyrazol-1-yl)butanenitrile
SMILESCC(CC#N)n1cc(N)cn1
InChIInChI=1S/C7H10N4/c1-6(2-3-8)11-5-7(9)4-10-11/h4-6H,2,9H2,1H3
InChIKeyIMQVQCSXJXQJMY-UHFFFAOYSA-N
XLogP0.94
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-aminopyrazol-1-yl)butanenitrile?
The IUPAC name of 3-(4-aminopyrazol-1-yl)butanenitrile (CID 51000310) is 3-(4-aminopyrazol-1-yl)butanenitrile.
What is the SMILES notation for 3-(4-aminopyrazol-1-yl)butanenitrile?
The canonical SMILES for 3-(4-aminopyrazol-1-yl)butanenitrile is CC(CC#N)n1cc(N)cn1.
What is the InChIKey of 3-(4-aminopyrazol-1-yl)butanenitrile?
The InChIKey is IMQVQCSXJXQJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4/c1-6(2-3-8)11-5-7(9)4-10-11/h4-6H,2,9H2,1H3.
What are the key properties of 3-(4-aminopyrazol-1-yl)butanenitrile?
3-(4-aminopyrazol-1-yl)butanenitrile has a molecular weight of 150.18 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminopyrazol-1-yl)butanenitrile is sourced from PubChem (CID 51000310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).