2-[4-(1-aminoethyl)pyrazol-1-yl]butanenitrile

C9H14N4 — CID 130502353

IUPAC2-[4-(1-aminoethyl)pyrazol-1-yl]butanenitrile
SMILESCCC(C#N)n1cc(C(C)N)cn1
InChIInChI=1S/C9H14N4/c1-3-9(4-10)13-6-8(5-12-13)7(2)11/h5-7,9H,3,11H2,1-2H3
InChIKeyMXFZYQWUOXADPN-UHFFFAOYSA-N
MW178.24 g/mol
LogP1.38
Rot. Bonds3

About 2-[4-(1-aminoethyl)pyrazol-1-yl]butanenitrile

2-[4-(1-aminoethyl)pyrazol-1-yl]butanenitrile (PubChem CID 130502353) has the molecular formula C9H14N4 and a molecular weight of 178.24 g/mol. Its IUPAC name is 2-[4-(1-aminoethyl)pyrazol-1-yl]butanenitrile.

Molecular Properties

Compound Name2-[4-(1-aminoethyl)pyrazol-1-yl]butanenitrile
PubChem CID130502353
Molecular FormulaC9H14N4
Molecular Weight178.24 g/mol
Exact Mass178.12
IUPAC Name2-[4-(1-aminoethyl)pyrazol-1-yl]butanenitrile
SMILESCCC(C#N)n1cc(C(C)N)cn1
InChIInChI=1S/C9H14N4/c1-3-9(4-10)13-6-8(5-12-13)7(2)11/h5-7,9H,3,11H2,1-2H3
InChIKeyMXFZYQWUOXADPN-UHFFFAOYSA-N
XLogP1.38
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(2-methylpropyl)pyrazol-4-yl]ethanamine
CID 62729328
ethane;2-(4-propan-2-ylpyrazol-1-yl)propanenitrile
CID 168929154
(1R)-1-[1-(3-methylbutyl)pyrazol-4-yl]ethanamine
CID 94575315
2-amino-1-(1-propan-2-ylpyrazol-4-yl)propan-1-ol
CID 112709525
(1S)-1-[1-(3-methylbutyl)pyrazol-4-yl]ethanamine
CID 94575316
2-(4-amino-6-oxopyridazin-1-yl)butanenitrile
CID 103218401
2,3-dihydroxy-3-(1-propan-2-ylpyrazol-4-yl)propanenitrile
CID 171869889
N-ethyl-1-(1-propan-2-ylpyrazol-4-yl)propan-1-amine
CID 62729985
1-[1-(3,3,3-trifluoropropyl)pyrazol-4-yl]ethanamine;hydrochloride
CID 135377882
2-[hydroxy-(1-methylpyrazol-4-yl)methyl]butanenitrile
CID 79137488
1-(1-methoxybutan-2-yl)-4-propan-2-ylpyrazole
CID 170273341
N-[1-(1-propan-2-ylpyrazol-4-yl)ethyl]pentan-2-amine
CID 115704138

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-aminoethyl)pyrazol-1-yl]butanenitrile?
The IUPAC name of 2-[4-(1-aminoethyl)pyrazol-1-yl]butanenitrile (CID 130502353) is 2-[4-(1-aminoethyl)pyrazol-1-yl]butanenitrile.
What is the SMILES notation for 2-[4-(1-aminoethyl)pyrazol-1-yl]butanenitrile?
The canonical SMILES for 2-[4-(1-aminoethyl)pyrazol-1-yl]butanenitrile is CCC(C#N)n1cc(C(C)N)cn1.
What is the InChIKey of 2-[4-(1-aminoethyl)pyrazol-1-yl]butanenitrile?
The InChIKey is MXFZYQWUOXADPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4/c1-3-9(4-10)13-6-8(5-12-13)7(2)11/h5-7,9H,3,11H2,1-2H3.
What are the key properties of 2-[4-(1-aminoethyl)pyrazol-1-yl]butanenitrile?
2-[4-(1-aminoethyl)pyrazol-1-yl]butanenitrile has a molecular weight of 178.24 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-aminoethyl)pyrazol-1-yl]butanenitrile is sourced from PubChem (CID 130502353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).