2-[4-[2-(1-aminocyclopropyl)ethyl]pyrazol-1-yl]acetonitrile

C10H14N4 — CID 105444419

IUPAC2-[4-[2-(1-aminocyclopropyl)ethyl]pyrazol-1-yl]acetonitrile
SMILESN#CCn1cc(CCC2(N)CC2)cn1
InChIInChI=1S/C10H14N4/c11-5-6-14-8-9(7-13-14)1-2-10(12)3-4-10/h7-8H,1-4,6,12H2
InChIKeyNDALYJPLULAKRC-UHFFFAOYSA-N
MW190.25 g/mol
LogP0.83
Rot. Bonds4

About 2-[4-[2-(1-aminocyclopropyl)ethyl]pyrazol-1-yl]acetonitrile

2-[4-[2-(1-aminocyclopropyl)ethyl]pyrazol-1-yl]acetonitrile (PubChem CID 105444419) has the molecular formula C10H14N4 and a molecular weight of 190.25 g/mol. Its IUPAC name is 2-[4-[2-(1-aminocyclopropyl)ethyl]pyrazol-1-yl]acetonitrile.

Molecular Properties

Compound Name2-[4-[2-(1-aminocyclopropyl)ethyl]pyrazol-1-yl]acetonitrile
PubChem CID105444419
Molecular FormulaC10H14N4
Molecular Weight190.25 g/mol
Exact Mass190.12
IUPAC Name2-[4-[2-(1-aminocyclopropyl)ethyl]pyrazol-1-yl]acetonitrile
SMILESN#CCn1cc(CCC2(N)CC2)cn1
InChIInChI=1S/C10H14N4/c11-5-6-14-8-9(7-13-14)1-2-10(12)3-4-10/h7-8H,1-4,6,12H2
InChIKeyNDALYJPLULAKRC-UHFFFAOYSA-N
XLogP0.83
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[2-(1-aminocyclopropyl)ethyl]pyrazol-1-yl]acetic acid
CID 105462924
2-[4-(3-aminopropyl)pyrazol-1-yl]acetonitrile
CID 122240562
4-[2-(1-methylpyrazol-4-yl)ethyl]oxan-4-amine
CID 103007085
2-[4-(3-methyl-2-oxobutyl)pyrazol-1-yl]acetonitrile
CID 159728855
2-[4-[(1-aminocyclopropyl)methyl]pyrazol-1-yl]ethanol
CID 105439525
3-(1-ethylpyrazol-4-yl)propanenitrile
CID 62128053
1-[2-(4-bromopyrazol-1-yl)ethyl]cyclopropan-1-amine
CID 84693286
3-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]cyclopentan-1-amine
CID 103007104
2-[4-(4-aminophenyl)pyrazol-1-yl]acetonitrile
CID 63328480
1-(cyanomethyl)pyrazole-4-carboxylic acid
CID 43565339
1-[(1-ethylpyrazol-4-yl)methyl]-4,4-dimethylcycloheptan-1-amine
CID 65083823
3-[4-(3-hydroxypropyl)pyrazol-1-yl]propanenitrile
CID 62718415

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(1-aminocyclopropyl)ethyl]pyrazol-1-yl]acetonitrile?
The IUPAC name of 2-[4-[2-(1-aminocyclopropyl)ethyl]pyrazol-1-yl]acetonitrile (CID 105444419) is 2-[4-[2-(1-aminocyclopropyl)ethyl]pyrazol-1-yl]acetonitrile.
What is the SMILES notation for 2-[4-[2-(1-aminocyclopropyl)ethyl]pyrazol-1-yl]acetonitrile?
The canonical SMILES for 2-[4-[2-(1-aminocyclopropyl)ethyl]pyrazol-1-yl]acetonitrile is N#CCn1cc(CCC2(N)CC2)cn1.
What is the InChIKey of 2-[4-[2-(1-aminocyclopropyl)ethyl]pyrazol-1-yl]acetonitrile?
The InChIKey is NDALYJPLULAKRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4/c11-5-6-14-8-9(7-13-14)1-2-10(12)3-4-10/h7-8H,1-4,6,12H2.
What are the key properties of 2-[4-[2-(1-aminocyclopropyl)ethyl]pyrazol-1-yl]acetonitrile?
2-[4-[2-(1-aminocyclopropyl)ethyl]pyrazol-1-yl]acetonitrile has a molecular weight of 190.25 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(1-aminocyclopropyl)ethyl]pyrazol-1-yl]acetonitrile is sourced from PubChem (CID 105444419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).