2-[4-(3-aminopropyl)pyrazol-1-yl]acetonitrile

C8H12N4 — CID 122240562

IUPAC2-[4-(3-aminopropyl)pyrazol-1-yl]acetonitrile
SMILESN#CCn1cc(CCCN)cn1
InChIInChI=1S/C8H12N4/c9-3-1-2-8-6-11-12(7-8)5-4-10/h6-7H,1-3,5,9H2
InChIKeyNOUUOZGCGINIDS-UHFFFAOYSA-N
MW164.21 g/mol
LogP0.30
Rot. Bonds4

About 2-[4-(3-aminopropyl)pyrazol-1-yl]acetonitrile

2-[4-(3-aminopropyl)pyrazol-1-yl]acetonitrile (PubChem CID 122240562) has the molecular formula C8H12N4 and a molecular weight of 164.21 g/mol. Its IUPAC name is 2-[4-(3-aminopropyl)pyrazol-1-yl]acetonitrile.

Molecular Properties

Compound Name2-[4-(3-aminopropyl)pyrazol-1-yl]acetonitrile
PubChem CID122240562
Molecular FormulaC8H12N4
Molecular Weight164.21 g/mol
Exact Mass164.11
IUPAC Name2-[4-(3-aminopropyl)pyrazol-1-yl]acetonitrile
SMILESN#CCn1cc(CCCN)cn1
InChIInChI=1S/C8H12N4/c9-3-1-2-8-6-11-12(7-8)5-4-10/h6-7H,1-3,5,9H2
InChIKeyNOUUOZGCGINIDS-UHFFFAOYSA-N
XLogP0.30
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[2-(1-aminocyclopropyl)ethyl]pyrazol-1-yl]acetonitrile
CID 105444419
4-(1-ethylpyrazol-4-yl)butan-1-amine
CID 64502922
3-[1-(3-methylbut-2-enyl)pyrazol-4-yl]propan-1-amine
CID 122240842
3-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]propan-1-amine
CID 55172803
3-(1-methylpyrazol-4-yl)propan-1-amine
CID 47003365
3-[4-(3-hydroxypropyl)pyrazol-1-yl]propanenitrile
CID 62718415
2-[4-(3-methyl-2-oxobutyl)pyrazol-1-yl]acetonitrile
CID 159728855
3-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]propan-1-amine
CID 63279067
3-[1-[(3-bromophenyl)methyl]pyrazol-4-yl]propan-1-amine
CID 63276910
3-[1-[(2R)-butan-2-yl]pyrazol-4-yl]propan-1-amine
CID 129368046
2-[1-(2,2-difluoroethyl)pyrazol-4-yl]ethanamine
CID 62729673
3-(1-ethylpyrazol-4-yl)propanenitrile
CID 62128053

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-aminopropyl)pyrazol-1-yl]acetonitrile?
The IUPAC name of 2-[4-(3-aminopropyl)pyrazol-1-yl]acetonitrile (CID 122240562) is 2-[4-(3-aminopropyl)pyrazol-1-yl]acetonitrile.
What is the SMILES notation for 2-[4-(3-aminopropyl)pyrazol-1-yl]acetonitrile?
The canonical SMILES for 2-[4-(3-aminopropyl)pyrazol-1-yl]acetonitrile is N#CCn1cc(CCCN)cn1.
What is the InChIKey of 2-[4-(3-aminopropyl)pyrazol-1-yl]acetonitrile?
The InChIKey is NOUUOZGCGINIDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4/c9-3-1-2-8-6-11-12(7-8)5-4-10/h6-7H,1-3,5,9H2.
What are the key properties of 2-[4-(3-aminopropyl)pyrazol-1-yl]acetonitrile?
2-[4-(3-aminopropyl)pyrazol-1-yl]acetonitrile has a molecular weight of 164.21 g/mol, XLogP of 0.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-aminopropyl)pyrazol-1-yl]acetonitrile is sourced from PubChem (CID 122240562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).