3-(4-chloro-5-methylpyrazol-1-yl)-2-cyclopropyl-2-(propylamino)propan-1-ol

C13H22ClN3O — CID 64810522

IUPAC3-(4-chloro-5-methylpyrazol-1-yl)-2-cyclopropyl-2-(propylamino)propan-1-ol
SMILESCCCNC(CO)(Cn1ncc(Cl)c1C)C1CC1
InChIInChI=1S/C13H22ClN3O/c1-3-6-15-13(9-18,11-4-5-11)8-17-10(2)12(14)7-16-17/h7,11,15,18H,3-6,8-9H2,1-2H3
InChIKeyRICMEGFLDRSLTJ-UHFFFAOYSA-N
MW271.79 g/mol
LogP1.99
Rot. Bonds7

About 3-(4-chloro-5-methylpyrazol-1-yl)-2-cyclopropyl-2-(propylamino)propan-1-ol

3-(4-chloro-5-methylpyrazol-1-yl)-2-cyclopropyl-2-(propylamino)propan-1-ol (PubChem CID 64810522) has the molecular formula C13H22ClN3O and a molecular weight of 271.79 g/mol. Its IUPAC name is 3-(4-chloro-5-methylpyrazol-1-yl)-2-cyclopropyl-2-(propylamino)propan-1-ol.

Molecular Properties

Compound Name3-(4-chloro-5-methylpyrazol-1-yl)-2-cyclopropyl-2-(propylamino)propan-1-ol
PubChem CID64810522
Molecular FormulaC13H22ClN3O
Molecular Weight271.79 g/mol
Exact Mass271.15
IUPAC Name3-(4-chloro-5-methylpyrazol-1-yl)-2-cyclopropyl-2-(propylamino)propan-1-ol
SMILESCCCNC(CO)(Cn1ncc(Cl)c1C)C1CC1
InChIInChI=1S/C13H22ClN3O/c1-3-6-15-13(9-18,11-4-5-11)8-17-10(2)12(14)7-16-17/h7,11,15,18H,3-6,8-9H2,1-2H3
InChIKeyRICMEGFLDRSLTJ-UHFFFAOYSA-N
XLogP1.99
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.79
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(4-chloro-5-methylpyrazol-1-yl)-2-cyclopropyl-2-(propylamino)propan-1-ol 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-chloro-5-methylpyrazol-1-yl)-2-cyclopropyl-2-(propylamino)propan-1-ol?
The IUPAC name of 3-(4-chloro-5-methylpyrazol-1-yl)-2-cyclopropyl-2-(propylamino)propan-1-ol (CID 64810522) is 3-(4-chloro-5-methylpyrazol-1-yl)-2-cyclopropyl-2-(propylamino)propan-1-ol.
What is the SMILES notation for 3-(4-chloro-5-methylpyrazol-1-yl)-2-cyclopropyl-2-(propylamino)propan-1-ol?
The canonical SMILES for 3-(4-chloro-5-methylpyrazol-1-yl)-2-cyclopropyl-2-(propylamino)propan-1-ol is CCCNC(CO)(Cn1ncc(Cl)c1C)C1CC1.
What is the InChIKey of 3-(4-chloro-5-methylpyrazol-1-yl)-2-cyclopropyl-2-(propylamino)propan-1-ol?
The InChIKey is RICMEGFLDRSLTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN3O/c1-3-6-15-13(9-18,11-4-5-11)8-17-10(2)12(14)7-16-17/h7,11,15,18H,3-6,8-9H2,1-2H3.
What are the key properties of 3-(4-chloro-5-methylpyrazol-1-yl)-2-cyclopropyl-2-(propylamino)propan-1-ol?
3-(4-chloro-5-methylpyrazol-1-yl)-2-cyclopropyl-2-(propylamino)propan-1-ol has a molecular weight of 271.79 g/mol, XLogP of 1.99, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-5-methylpyrazol-1-yl)-2-cyclopropyl-2-(propylamino)propan-1-ol is sourced from PubChem (CID 64810522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).