2-cyclopropyl-3-(4-methoxypyrazol-1-yl)-2-(propylamino)propan-1-ol

C13H23N3O2 — CID 114273985

IUPAC2-cyclopropyl-3-(4-methoxypyrazol-1-yl)-2-(propylamino)propan-1-ol
SMILESCCCNC(CO)(Cn1cc(OC)cn1)C1CC1
InChIInChI=1S/C13H23N3O2/c1-3-6-14-13(10-17,11-4-5-11)9-16-8-12(18-2)7-15-16/h7-8,11,14,17H,3-6,9-10H2,1-2H3
InChIKeyNTNNTBWDQQSCRH-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.03
Rot. Bonds8

About 2-cyclopropyl-3-(4-methoxypyrazol-1-yl)-2-(propylamino)propan-1-ol

2-cyclopropyl-3-(4-methoxypyrazol-1-yl)-2-(propylamino)propan-1-ol (PubChem CID 114273985) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-cyclopropyl-3-(4-methoxypyrazol-1-yl)-2-(propylamino)propan-1-ol.

Molecular Properties

Compound Name2-cyclopropyl-3-(4-methoxypyrazol-1-yl)-2-(propylamino)propan-1-ol
PubChem CID114273985
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name2-cyclopropyl-3-(4-methoxypyrazol-1-yl)-2-(propylamino)propan-1-ol
SMILESCCCNC(CO)(Cn1cc(OC)cn1)C1CC1
InChIInChI=1S/C13H23N3O2/c1-3-6-14-13(10-17,11-4-5-11)9-16-8-12(18-2)7-15-16/h7-8,11,14,17H,3-6,9-10H2,1-2H3
InChIKeyNTNNTBWDQQSCRH-UHFFFAOYSA-N
XLogP1.03
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-cyclopropyl-3-(4-methoxypyrazol-1-yl)-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 2-cyclopropyl-3-(4-methoxypyrazol-1-yl)-2-(propylamino)propan-1-ol?
The IUPAC name of 2-cyclopropyl-3-(4-methoxypyrazol-1-yl)-2-(propylamino)propan-1-ol (CID 114273985) is 2-cyclopropyl-3-(4-methoxypyrazol-1-yl)-2-(propylamino)propan-1-ol.
What is the SMILES notation for 2-cyclopropyl-3-(4-methoxypyrazol-1-yl)-2-(propylamino)propan-1-ol?
The canonical SMILES for 2-cyclopropyl-3-(4-methoxypyrazol-1-yl)-2-(propylamino)propan-1-ol is CCCNC(CO)(Cn1cc(OC)cn1)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-(4-methoxypyrazol-1-yl)-2-(propylamino)propan-1-ol?
The InChIKey is NTNNTBWDQQSCRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-3-6-14-13(10-17,11-4-5-11)9-16-8-12(18-2)7-15-16/h7-8,11,14,17H,3-6,9-10H2,1-2H3.
What are the key properties of 2-cyclopropyl-3-(4-methoxypyrazol-1-yl)-2-(propylamino)propan-1-ol?
2-cyclopropyl-3-(4-methoxypyrazol-1-yl)-2-(propylamino)propan-1-ol has a molecular weight of 253.35 g/mol, XLogP of 1.03, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(4-methoxypyrazol-1-yl)-2-(propylamino)propan-1-ol is sourced from PubChem (CID 114273985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).