4-(4-chloropyrazol-1-yl)-2-(ethylamino)butanenitrile

C9H13ClN4 — CID 63029338

IUPAC4-(4-chloropyrazol-1-yl)-2-(ethylamino)butanenitrile
SMILESCCNC(C#N)CCn1cc(Cl)cn1
InChIInChI=1S/C9H13ClN4/c1-2-12-9(5-11)3-4-14-7-8(10)6-13-14/h6-7,9,12H,2-4H2,1H3
InChIKeyMLBNAMFQWICGOD-UHFFFAOYSA-N
MW212.68 g/mol
LogP1.43
Rot. Bonds5

About 4-(4-chloropyrazol-1-yl)-2-(ethylamino)butanenitrile

4-(4-chloropyrazol-1-yl)-2-(ethylamino)butanenitrile (PubChem CID 63029338) has the molecular formula C9H13ClN4 and a molecular weight of 212.68 g/mol. Its IUPAC name is 4-(4-chloropyrazol-1-yl)-2-(ethylamino)butanenitrile.

Molecular Properties

Compound Name4-(4-chloropyrazol-1-yl)-2-(ethylamino)butanenitrile
PubChem CID63029338
Molecular FormulaC9H13ClN4
Molecular Weight212.68 g/mol
Exact Mass212.08
IUPAC Name4-(4-chloropyrazol-1-yl)-2-(ethylamino)butanenitrile
SMILESCCNC(C#N)CCn1cc(Cl)cn1
InChIInChI=1S/C9H13ClN4/c1-2-12-9(5-11)3-4-14-7-8(10)6-13-14/h6-7,9,12H,2-4H2,1H3
InChIKeyMLBNAMFQWICGOD-UHFFFAOYSA-N
XLogP1.43
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(4-chloropyrazol-1-yl)-2-(ethylamino)butanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloropyrazol-1-yl)-2-(ethylamino)butanenitrile?
The IUPAC name of 4-(4-chloropyrazol-1-yl)-2-(ethylamino)butanenitrile (CID 63029338) is 4-(4-chloropyrazol-1-yl)-2-(ethylamino)butanenitrile.
What is the SMILES notation for 4-(4-chloropyrazol-1-yl)-2-(ethylamino)butanenitrile?
The canonical SMILES for 4-(4-chloropyrazol-1-yl)-2-(ethylamino)butanenitrile is CCNC(C#N)CCn1cc(Cl)cn1.
What is the InChIKey of 4-(4-chloropyrazol-1-yl)-2-(ethylamino)butanenitrile?
The InChIKey is MLBNAMFQWICGOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN4/c1-2-12-9(5-11)3-4-14-7-8(10)6-13-14/h6-7,9,12H,2-4H2,1H3.
What are the key properties of 4-(4-chloropyrazol-1-yl)-2-(ethylamino)butanenitrile?
4-(4-chloropyrazol-1-yl)-2-(ethylamino)butanenitrile has a molecular weight of 212.68 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloropyrazol-1-yl)-2-(ethylamino)butanenitrile is sourced from PubChem (CID 63029338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).