1-[3-[cyclohexyl(methyl)amino]propylamino]-3-pyrazol-1-ylpropan-2-ol

C16H30N4O — CID 60980033

IUPAC1-[3-[cyclohexyl(methyl)amino]propylamino]-3-pyrazol-1-ylpropan-2-ol
SMILESCN(CCCNCC(O)Cn1cccn1)C1CCCCC1
InChIInChI=1S/C16H30N4O/c1-19(15-7-3-2-4-8-15)11-5-9-17-13-16(21)14-20-12-6-10-18-20/h6,10,12,15-17,21H,2-5,7-9,11,13-14H2,1H3
InChIKeyHOFFKCGBXANGBI-UHFFFAOYSA-N
MW294.44 g/mol
LogP1.49
Rot. Bonds9

About 1-[3-[cyclohexyl(methyl)amino]propylamino]-3-pyrazol-1-ylpropan-2-ol

1-[3-[cyclohexyl(methyl)amino]propylamino]-3-pyrazol-1-ylpropan-2-ol (PubChem CID 60980033) has the molecular formula C16H30N4O and a molecular weight of 294.44 g/mol. Its IUPAC name is 1-[3-[cyclohexyl(methyl)amino]propylamino]-3-pyrazol-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-[3-[cyclohexyl(methyl)amino]propylamino]-3-pyrazol-1-ylpropan-2-ol
PubChem CID60980033
Molecular FormulaC16H30N4O
Molecular Weight294.44 g/mol
Exact Mass294.24
IUPAC Name1-[3-[cyclohexyl(methyl)amino]propylamino]-3-pyrazol-1-ylpropan-2-ol
SMILESCN(CCCNCC(O)Cn1cccn1)C1CCCCC1
InChIInChI=1S/C16H30N4O/c1-19(15-7-3-2-4-8-15)11-5-9-17-13-16(21)14-20-12-6-10-18-20/h6,10,12,15-17,21H,2-5,7-9,11,13-14H2,1H3
InChIKeyHOFFKCGBXANGBI-UHFFFAOYSA-N
XLogP1.49
TPSA53.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S)-3-[3-[cyclohexyl(methyl)amino]propylamino]propane-1,2-diol
CID 61142942
1-[3-(2-methylpiperidin-1-yl)propylamino]-3-pyrazol-1-ylpropan-2-ol
CID 60898299
4-[3-[cyclohexyl(methyl)amino]propylamino]-3-hydroxybutanoic acid
CID 103240520
1-(3-methylbutylamino)-3-pyrazol-1-ylpropan-2-ol
CID 60897907
1-(pent-4-ynylamino)-3-pyrazol-1-ylpropan-2-ol
CID 106221458
1-[3-[cyclohexyl(methyl)amino]propyl]-3-ethyl-2-(3-pyrazol-1-ylpropyl)guanidine;hydroiodide
CID 111904472
2-[(2-hydroxy-3-pyrazol-1-ylpropyl)amino]cycloheptan-1-ol
CID 113394722
1-(2-methylpropylamino)-3-pyrazol-1-ylpropan-2-ol
CID 60904302
1-[3-[cyclohexyl(methyl)amino]propyl]-2-methyl-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111850923
1-[(1-methylpyrrolidin-2-yl)methylamino]-3-pyrazol-1-ylpropan-2-ol
CID 114138299
N'-cyclohexyl-N-(2,2-dimethoxyethyl)-N'-methylpropane-1,3-diamine
CID 63697606
4-[3-hydroxypropyl(methyl)amino]-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]piperidine-1-carboxamide
CID 97317829

Frequently Asked Questions

What is the IUPAC name of 1-[3-[cyclohexyl(methyl)amino]propylamino]-3-pyrazol-1-ylpropan-2-ol?
The IUPAC name of 1-[3-[cyclohexyl(methyl)amino]propylamino]-3-pyrazol-1-ylpropan-2-ol (CID 60980033) is 1-[3-[cyclohexyl(methyl)amino]propylamino]-3-pyrazol-1-ylpropan-2-ol.
What is the SMILES notation for 1-[3-[cyclohexyl(methyl)amino]propylamino]-3-pyrazol-1-ylpropan-2-ol?
The canonical SMILES for 1-[3-[cyclohexyl(methyl)amino]propylamino]-3-pyrazol-1-ylpropan-2-ol is CN(CCCNCC(O)Cn1cccn1)C1CCCCC1.
What is the InChIKey of 1-[3-[cyclohexyl(methyl)amino]propylamino]-3-pyrazol-1-ylpropan-2-ol?
The InChIKey is HOFFKCGBXANGBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O/c1-19(15-7-3-2-4-8-15)11-5-9-17-13-16(21)14-20-12-6-10-18-20/h6,10,12,15-17,21H,2-5,7-9,11,13-14H2,1H3.
What are the key properties of 1-[3-[cyclohexyl(methyl)amino]propylamino]-3-pyrazol-1-ylpropan-2-ol?
1-[3-[cyclohexyl(methyl)amino]propylamino]-3-pyrazol-1-ylpropan-2-ol has a molecular weight of 294.44 g/mol, XLogP of 1.49, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[cyclohexyl(methyl)amino]propylamino]-3-pyrazol-1-ylpropan-2-ol is sourced from PubChem (CID 60980033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).