1-[cyclohexyl(methyl)amino]-3-[2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethylamino]methyl]phenoxy]propan-2-ol

C24H38N4O2 — CID 45221908

IUPAC1-[cyclohexyl(methyl)amino]-3-[2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethylamino]methyl]phenoxy]propan-2-ol
SMILESCc1n[nH]c(C)c1CCNCc1ccccc1OCC(O)CN(C)C1CCCCC1
InChIInChI=1S/C24H38N4O2/c1-18-23(19(2)27-26-18)13-14-25-15-20-9-7-8-12-24(20)30-17-22(29)16-28(3)21-10-5-4-6-11-21/h7-9,12,21-22,25,29H,4-6,10-11,13-17H2,1-3H3,(H,26,27)
InChIKeyXBXPBXMKECDDQO-UHFFFAOYSA-N
MW414.59 g/mol
LogP3.36
Rot. Bonds11

About 1-[cyclohexyl(methyl)amino]-3-[2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethylamino]methyl]phenoxy]propan-2-ol

1-[cyclohexyl(methyl)amino]-3-[2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethylamino]methyl]phenoxy]propan-2-ol (PubChem CID 45221908) has the molecular formula C24H38N4O2 and a molecular weight of 414.59 g/mol. Its IUPAC name is 1-[cyclohexyl(methyl)amino]-3-[2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethylamino]methyl]phenoxy]propan-2-ol.

Molecular Properties

Compound Name1-[cyclohexyl(methyl)amino]-3-[2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethylamino]methyl]phenoxy]propan-2-ol
PubChem CID45221908
Molecular FormulaC24H38N4O2
Molecular Weight414.59 g/mol
Exact Mass414.30
IUPAC Name1-[cyclohexyl(methyl)amino]-3-[2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethylamino]methyl]phenoxy]propan-2-ol
SMILESCc1n[nH]c(C)c1CCNCc1ccccc1OCC(O)CN(C)C1CCCCC1
InChIInChI=1S/C24H38N4O2/c1-18-23(19(2)27-26-18)13-14-25-15-20-9-7-8-12-24(20)30-17-22(29)16-28(3)21-10-5-4-6-11-21/h7-9,12,21-22,25,29H,4-6,10-11,13-17H2,1-3H3,(H,26,27)
InChIKeyXBXPBXMKECDDQO-UHFFFAOYSA-N
XLogP3.36
TPSA73.41 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.59
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[cyclohexyl(methyl)amino]-3-[2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethylamino]methyl]phenoxy]propan-2-ol 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

1-[cyclohexyl(methyl)amino]-3-[2-[(2-piperidin-1-ylethylamino)methyl]phenoxy]propan-2-ol
CID 45169097
4-[[[2-[(2R)-3-[cyclohexyl(methyl)amino]-2-hydroxypropoxy]phenyl]methylamino]methyl]hepta-1,6-dien-4-ol
CID 42355676
1-[cyclohexyl(methyl)amino]-3-[2-[(quinolin-6-ylmethylamino)methyl]phenoxy]propan-2-ol
CID 45179199
1-[cyclohexyl(methyl)amino]-3-[2-[(4-methylpiperidin-1-yl)methyl]phenoxy]propan-2-ol
CID 45200049
1-[cyclohexyl(methyl)amino]-3-[2-[[methyl-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]amino]methyl]phenoxy]propan-2-ol
CID 45196691
1-[cyclohexyl(methyl)amino]-3-(2-fluorophenoxy)propan-2-ol chloride
CID 53350472
(2R)-1-[2-[[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethylamino]methyl]phenoxy]-3-piperidin-1-ylpropan-2-ol
CID 26329363
1-[2-[[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethylamino]methyl]phenoxy]-3-piperidin-1-ylpropan-2-ol
CID 45231776
1-(diethylamino)-3-[4-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethylamino]methyl]-2-methoxyphenoxy]propan-2-ol
CID 45229922
(2R)-1-[cyclohexyl(methyl)amino]-3-[2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)phenoxy]propan-2-ol
CID 97268153
1-[cyclohexyl(methyl)amino]-3-(2-propan-2-ylphenoxy)propan-2-ol chloride
CID 46863798
1-[cyclohexyl(methyl)amino]-3-[2-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]phenoxy]propan-2-ol
CID 45210215

Frequently Asked Questions

What is the IUPAC name of 1-[cyclohexyl(methyl)amino]-3-[2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethylamino]methyl]phenoxy]propan-2-ol?
The IUPAC name of 1-[cyclohexyl(methyl)amino]-3-[2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethylamino]methyl]phenoxy]propan-2-ol (CID 45221908) is 1-[cyclohexyl(methyl)amino]-3-[2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethylamino]methyl]phenoxy]propan-2-ol.
What is the SMILES notation for 1-[cyclohexyl(methyl)amino]-3-[2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethylamino]methyl]phenoxy]propan-2-ol?
The canonical SMILES for 1-[cyclohexyl(methyl)amino]-3-[2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethylamino]methyl]phenoxy]propan-2-ol is Cc1n[nH]c(C)c1CCNCc1ccccc1OCC(O)CN(C)C1CCCCC1.
What is the InChIKey of 1-[cyclohexyl(methyl)amino]-3-[2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethylamino]methyl]phenoxy]propan-2-ol?
The InChIKey is XBXPBXMKECDDQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N4O2/c1-18-23(19(2)27-26-18)13-14-25-15-20-9-7-8-12-24(20)30-17-22(29)16-28(3)21-10-5-4-6-11-21/h7-9,12,21-22,25,29H,4-6,10-11,13-17H2,1-3H3,(H,26,27).
What are the key properties of 1-[cyclohexyl(methyl)amino]-3-[2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethylamino]methyl]phenoxy]propan-2-ol?
1-[cyclohexyl(methyl)amino]-3-[2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethylamino]methyl]phenoxy]propan-2-ol has a molecular weight of 414.59 g/mol, XLogP of 3.36, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclohexyl(methyl)amino]-3-[2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethylamino]methyl]phenoxy]propan-2-ol is sourced from PubChem (CID 45221908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).