N-[3-(4-aminocyclohexyl)oxypropyl]-2-pyrazol-1-ylpropanamide

C15H26N4O2 — CID 63870310

IUPACN-[3-(4-aminocyclohexyl)oxypropyl]-2-pyrazol-1-ylpropanamide
SMILESCC(C(=O)NCCCOC1CCC(N)CC1)n1cccn1
InChIInChI=1S/C15H26N4O2/c1-12(19-10-2-9-18-19)15(20)17-8-3-11-21-14-6-4-13(16)5-7-14/h2,9-10,12-14H,3-8,11,16H2,1H3,(H,17,20)
InChIKeySOEQWAZVWQTMFO-UHFFFAOYSA-N
MW294.40 g/mol
LogP1.24
Rot. Bonds7

About N-[3-(4-aminocyclohexyl)oxypropyl]-2-pyrazol-1-ylpropanamide

N-[3-(4-aminocyclohexyl)oxypropyl]-2-pyrazol-1-ylpropanamide (PubChem CID 63870310) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is N-[3-(4-aminocyclohexyl)oxypropyl]-2-pyrazol-1-ylpropanamide.

Molecular Properties

Compound NameN-[3-(4-aminocyclohexyl)oxypropyl]-2-pyrazol-1-ylpropanamide
PubChem CID63870310
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC NameN-[3-(4-aminocyclohexyl)oxypropyl]-2-pyrazol-1-ylpropanamide
SMILESCC(C(=O)NCCCOC1CCC(N)CC1)n1cccn1
InChIInChI=1S/C15H26N4O2/c1-12(19-10-2-9-18-19)15(20)17-8-3-11-21-14-6-4-13(16)5-7-14/h2,9-10,12-14H,3-8,11,16H2,1H3,(H,17,20)
InChIKeySOEQWAZVWQTMFO-UHFFFAOYSA-N
XLogP1.24
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[3-(4-aminocyclohexyl)oxypropyl]-2-pyrazol-1-ylpropanamide with MolForge

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

Launch Full Analysis

Related Compounds

2-methylpropyl N-[3-(4-aminocyclohexyl)oxypropyl]carbamate
CID 63870091
N-[3-(4-aminocyclohexyl)oxypropyl]-1-methylpyrazole-3-carboxamide
CID 103120763
N-[3-(4-aminocyclohexyl)oxypropyl]-2-propan-2-yloxyacetamide
CID 112603398
1-[3-(4-aminocyclohexyl)oxypropyl]-3-propylurea
CID 63870768
(2R)-N-(3-cyclohexyloxypropyl)-2-(2-methylimidazol-1-yl)propanamide
CID 126448035
N-[2-(cycloheptylamino)ethyl]-2-pyrazol-1-ylpropanamide
CID 81424644
N-[3-(4-aminocyclohexyl)oxypropyl]-2-pyridin-4-ylacetamide
CID 63871143
N-[2-(4-aminocyclohexyl)oxyethyl]-2-methylbutanamide
CID 63869286
1-[3-(4-aminocyclohexyl)oxypropyl]-3-tert-butylurea
CID 63870429
N-[3-(4-aminocyclohexyl)oxypropyl]-2-pyridin-3-ylacetamide
CID 63869983
N-[2-(4-aminocyclohexyl)oxyethyl]-2,2-difluoroacetamide
CID 103514165
N-(4-phenylbutyl)-2-pyrazol-1-ylpropanamide
CID 119059945

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-aminocyclohexyl)oxypropyl]-2-pyrazol-1-ylpropanamide?
The IUPAC name of N-[3-(4-aminocyclohexyl)oxypropyl]-2-pyrazol-1-ylpropanamide (CID 63870310) is N-[3-(4-aminocyclohexyl)oxypropyl]-2-pyrazol-1-ylpropanamide.
What is the SMILES notation for N-[3-(4-aminocyclohexyl)oxypropyl]-2-pyrazol-1-ylpropanamide?
The canonical SMILES for N-[3-(4-aminocyclohexyl)oxypropyl]-2-pyrazol-1-ylpropanamide is CC(C(=O)NCCCOC1CCC(N)CC1)n1cccn1.
What is the InChIKey of N-[3-(4-aminocyclohexyl)oxypropyl]-2-pyrazol-1-ylpropanamide?
The InChIKey is SOEQWAZVWQTMFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-12(19-10-2-9-18-19)15(20)17-8-3-11-21-14-6-4-13(16)5-7-14/h2,9-10,12-14H,3-8,11,16H2,1H3,(H,17,20).
What are the key properties of N-[3-(4-aminocyclohexyl)oxypropyl]-2-pyrazol-1-ylpropanamide?
N-[3-(4-aminocyclohexyl)oxypropyl]-2-pyrazol-1-ylpropanamide has a molecular weight of 294.40 g/mol, XLogP of 1.24, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-aminocyclohexyl)oxypropyl]-2-pyrazol-1-ylpropanamide is sourced from PubChem (CID 63870310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).