3-(4-chloropyrazol-1-yl)-N-(1-methylpiperidin-4-yl)propanamide

C12H19ClN4O — CID 19539589

IUPAC3-(4-chloropyrazol-1-yl)-N-(1-methylpiperidin-4-yl)propanamide
SMILESCN1CCC(NC(=O)CCn2cc(Cl)cn2)CC1
InChIInChI=1S/C12H19ClN4O/c1-16-5-2-11(3-6-16)15-12(18)4-7-17-9-10(13)8-14-17/h8-9,11H,2-7H2,1H3,(H,15,18)
InChIKeyJEKQYZDVDUBCTA-UHFFFAOYSA-N
MW270.76 g/mol
LogP1.14
Rot. Bonds4

About 3-(4-chloropyrazol-1-yl)-N-(1-methylpiperidin-4-yl)propanamide

3-(4-chloropyrazol-1-yl)-N-(1-methylpiperidin-4-yl)propanamide (PubChem CID 19539589) has the molecular formula C12H19ClN4O and a molecular weight of 270.76 g/mol. Its IUPAC name is 3-(4-chloropyrazol-1-yl)-N-(1-methylpiperidin-4-yl)propanamide.

Molecular Properties

Compound Name3-(4-chloropyrazol-1-yl)-N-(1-methylpiperidin-4-yl)propanamide
PubChem CID19539589
Molecular FormulaC12H19ClN4O
Molecular Weight270.76 g/mol
Exact Mass270.12
IUPAC Name3-(4-chloropyrazol-1-yl)-N-(1-methylpiperidin-4-yl)propanamide
SMILESCN1CCC(NC(=O)CCn2cc(Cl)cn2)CC1
InChIInChI=1S/C12H19ClN4O/c1-16-5-2-11(3-6-16)15-12(18)4-7-17-9-10(13)8-14-17/h8-9,11H,2-7H2,1H3,(H,15,18)
InChIKeyJEKQYZDVDUBCTA-UHFFFAOYSA-N
XLogP1.14
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(4-chloropyrazol-1-yl)-N-(1-methylpiperidin-4-yl)propanamide 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 3-(4-chloropyrazol-1-yl)-N-(1-methylpiperidin-4-yl)propanamide?
The IUPAC name of 3-(4-chloropyrazol-1-yl)-N-(1-methylpiperidin-4-yl)propanamide (CID 19539589) is 3-(4-chloropyrazol-1-yl)-N-(1-methylpiperidin-4-yl)propanamide.
What is the SMILES notation for 3-(4-chloropyrazol-1-yl)-N-(1-methylpiperidin-4-yl)propanamide?
The canonical SMILES for 3-(4-chloropyrazol-1-yl)-N-(1-methylpiperidin-4-yl)propanamide is CN1CCC(NC(=O)CCn2cc(Cl)cn2)CC1.
What is the InChIKey of 3-(4-chloropyrazol-1-yl)-N-(1-methylpiperidin-4-yl)propanamide?
The InChIKey is JEKQYZDVDUBCTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4O/c1-16-5-2-11(3-6-16)15-12(18)4-7-17-9-10(13)8-14-17/h8-9,11H,2-7H2,1H3,(H,15,18).
What are the key properties of 3-(4-chloropyrazol-1-yl)-N-(1-methylpiperidin-4-yl)propanamide?
3-(4-chloropyrazol-1-yl)-N-(1-methylpiperidin-4-yl)propanamide has a molecular weight of 270.76 g/mol, XLogP of 1.14, 4 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)-N-(1-methylpiperidin-4-yl)propanamide is sourced from PubChem (CID 19539589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).