1-[(3-ethylcyclohexyl)amino]-3-pyrazol-1-ylpropan-2-ol

C14H25N3O — CID 64741436

IUPAC1-[(3-ethylcyclohexyl)amino]-3-pyrazol-1-ylpropan-2-ol
SMILESCCC1CCCC(NCC(O)Cn2cccn2)C1
InChIInChI=1S/C14H25N3O/c1-2-12-5-3-6-13(9-12)15-10-14(18)11-17-8-4-7-16-17/h4,7-8,12-15,18H,2-3,5-6,9-11H2,1H3
InChIKeyMIQNIHABEFUWEB-UHFFFAOYSA-N
MW251.37 g/mol
LogP1.80
Rot. Bonds6

About 1-[(3-ethylcyclohexyl)amino]-3-pyrazol-1-ylpropan-2-ol

1-[(3-ethylcyclohexyl)amino]-3-pyrazol-1-ylpropan-2-ol (PubChem CID 64741436) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-[(3-ethylcyclohexyl)amino]-3-pyrazol-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-[(3-ethylcyclohexyl)amino]-3-pyrazol-1-ylpropan-2-ol
PubChem CID64741436
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name1-[(3-ethylcyclohexyl)amino]-3-pyrazol-1-ylpropan-2-ol
SMILESCCC1CCCC(NCC(O)Cn2cccn2)C1
InChIInChI=1S/C14H25N3O/c1-2-12-5-3-6-13(9-12)15-10-14(18)11-17-8-4-7-16-17/h4,7-8,12-15,18H,2-3,5-6,9-11H2,1H3
InChIKeyMIQNIHABEFUWEB-UHFFFAOYSA-N
XLogP1.80
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3-methylsulfanylcyclohexyl)amino]-3-pyrazol-1-ylpropan-2-ol
CID 114123153
1-[(1-methylpyrrolidin-3-yl)amino]-3-pyrazol-1-ylpropan-2-ol
CID 61462108
2-[(2-hydroxy-3-pyrazol-1-ylpropyl)amino]cycloheptan-1-ol
CID 113394722
N-(2,2-difluoroethyl)-3-ethylcyclohexan-1-amine
CID 64742405
1-[3-(2-methylpiperidin-1-yl)propylamino]-3-pyrazol-1-ylpropan-2-ol
CID 60898299
1-(3-chlorophenoxy)-3-[(3-ethylcyclohexyl)amino]propan-2-ol
CID 64741452
N-cyclopropyl-2-[(2-hydroxy-3-pyrazol-1-ylpropyl)amino]acetamide
CID 54938305
1-N-(2-pyrazol-1-ylethyl)cyclohexane-1,3-diamine
CID 79458214
1-[(1-methylpyrrolidin-2-yl)methylamino]-3-pyrazol-1-ylpropan-2-ol
CID 114138299
3-ethyl-N-(2-methylidenebutyl)cyclohexan-1-amine
CID 66044278
1-(2-methylpropylamino)-3-pyrazol-1-ylpropan-2-ol
CID 60904302
1-[3-[cyclohexyl(methyl)amino]propylamino]-3-pyrazol-1-ylpropan-2-ol
CID 60980033

Frequently Asked Questions

What is the IUPAC name of 1-[(3-ethylcyclohexyl)amino]-3-pyrazol-1-ylpropan-2-ol?
The IUPAC name of 1-[(3-ethylcyclohexyl)amino]-3-pyrazol-1-ylpropan-2-ol (CID 64741436) is 1-[(3-ethylcyclohexyl)amino]-3-pyrazol-1-ylpropan-2-ol.
What is the SMILES notation for 1-[(3-ethylcyclohexyl)amino]-3-pyrazol-1-ylpropan-2-ol?
The canonical SMILES for 1-[(3-ethylcyclohexyl)amino]-3-pyrazol-1-ylpropan-2-ol is CCC1CCCC(NCC(O)Cn2cccn2)C1.
What is the InChIKey of 1-[(3-ethylcyclohexyl)amino]-3-pyrazol-1-ylpropan-2-ol?
The InChIKey is MIQNIHABEFUWEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-2-12-5-3-6-13(9-12)15-10-14(18)11-17-8-4-7-16-17/h4,7-8,12-15,18H,2-3,5-6,9-11H2,1H3.
What are the key properties of 1-[(3-ethylcyclohexyl)amino]-3-pyrazol-1-ylpropan-2-ol?
1-[(3-ethylcyclohexyl)amino]-3-pyrazol-1-ylpropan-2-ol has a molecular weight of 251.37 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-ethylcyclohexyl)amino]-3-pyrazol-1-ylpropan-2-ol is sourced from PubChem (CID 64741436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).