3-(4-chloropyrazol-1-yl)-2-cyclopropyl-2-(ethylamino)propanenitrile

C11H15ClN4 — CID 63907728

IUPAC3-(4-chloropyrazol-1-yl)-2-cyclopropyl-2-(ethylamino)propanenitrile
SMILESCCNC(C#N)(Cn1cc(Cl)cn1)C1CC1
InChIInChI=1S/C11H15ClN4/c1-2-14-11(7-13,9-3-4-9)8-16-6-10(12)5-15-16/h5-6,9,14H,2-4,8H2,1H3
InChIKeyHSFDCNYICGQYBO-UHFFFAOYSA-N
MW238.72 g/mol
LogP1.82
Rot. Bonds5

About 3-(4-chloropyrazol-1-yl)-2-cyclopropyl-2-(ethylamino)propanenitrile

3-(4-chloropyrazol-1-yl)-2-cyclopropyl-2-(ethylamino)propanenitrile (PubChem CID 63907728) has the molecular formula C11H15ClN4 and a molecular weight of 238.72 g/mol. Its IUPAC name is 3-(4-chloropyrazol-1-yl)-2-cyclopropyl-2-(ethylamino)propanenitrile.

Molecular Properties

Compound Name3-(4-chloropyrazol-1-yl)-2-cyclopropyl-2-(ethylamino)propanenitrile
PubChem CID63907728
Molecular FormulaC11H15ClN4
Molecular Weight238.72 g/mol
Exact Mass238.10
IUPAC Name3-(4-chloropyrazol-1-yl)-2-cyclopropyl-2-(ethylamino)propanenitrile
SMILESCCNC(C#N)(Cn1cc(Cl)cn1)C1CC1
InChIInChI=1S/C11H15ClN4/c1-2-14-11(7-13,9-3-4-9)8-16-6-10(12)5-15-16/h5-6,9,14H,2-4,8H2,1H3
InChIKeyHSFDCNYICGQYBO-UHFFFAOYSA-N
XLogP1.82
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.72
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chloropyrazol-1-yl)-2-cyclopropyl-2-(ethylamino)propanenitrile?
The IUPAC name of 3-(4-chloropyrazol-1-yl)-2-cyclopropyl-2-(ethylamino)propanenitrile (CID 63907728) is 3-(4-chloropyrazol-1-yl)-2-cyclopropyl-2-(ethylamino)propanenitrile.
What is the SMILES notation for 3-(4-chloropyrazol-1-yl)-2-cyclopropyl-2-(ethylamino)propanenitrile?
The canonical SMILES for 3-(4-chloropyrazol-1-yl)-2-cyclopropyl-2-(ethylamino)propanenitrile is CCNC(C#N)(Cn1cc(Cl)cn1)C1CC1.
What is the InChIKey of 3-(4-chloropyrazol-1-yl)-2-cyclopropyl-2-(ethylamino)propanenitrile?
The InChIKey is HSFDCNYICGQYBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN4/c1-2-14-11(7-13,9-3-4-9)8-16-6-10(12)5-15-16/h5-6,9,14H,2-4,8H2,1H3.
What are the key properties of 3-(4-chloropyrazol-1-yl)-2-cyclopropyl-2-(ethylamino)propanenitrile?
3-(4-chloropyrazol-1-yl)-2-cyclopropyl-2-(ethylamino)propanenitrile has a molecular weight of 238.72 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloropyrazol-1-yl)-2-cyclopropyl-2-(ethylamino)propanenitrile is sourced from PubChem (CID 63907728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).