1-cyclopentyl-3-[1-(1-methylpyrazol-4-yl)ethylamino]propan-2-ol

C14H25N3O — CID 132970547

IUPAC1-cyclopentyl-3-[1-(1-methylpyrazol-4-yl)ethylamino]propan-2-ol
SMILESCC(NCC(O)CC1CCCC1)c1cnn(C)c1
InChIInChI=1S/C14H25N3O/c1-11(13-8-16-17(2)10-13)15-9-14(18)7-12-5-3-4-6-12/h8,10-12,14-15,18H,3-7,9H2,1-2H3
InChIKeyJLIHSZZEZPONLG-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.01
Rot. Bonds6

About 1-cyclopentyl-3-[1-(1-methylpyrazol-4-yl)ethylamino]propan-2-ol

1-cyclopentyl-3-[1-(1-methylpyrazol-4-yl)ethylamino]propan-2-ol (PubChem CID 132970547) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-cyclopentyl-3-[1-(1-methylpyrazol-4-yl)ethylamino]propan-2-ol.

Molecular Properties

Compound Name1-cyclopentyl-3-[1-(1-methylpyrazol-4-yl)ethylamino]propan-2-ol
PubChem CID132970547
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name1-cyclopentyl-3-[1-(1-methylpyrazol-4-yl)ethylamino]propan-2-ol
SMILESCC(NCC(O)CC1CCCC1)c1cnn(C)c1
InChIInChI=1S/C14H25N3O/c1-11(13-8-16-17(2)10-13)15-9-14(18)7-12-5-3-4-6-12/h8,10-12,14-15,18H,3-7,9H2,1-2H3
InChIKeyJLIHSZZEZPONLG-UHFFFAOYSA-N
XLogP2.01
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 ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[2,2,2-Trifluoro-1-[1-(4-methylcyclohexyl)pyrazol-4-yl]ethyl]amino]propan-2-ol
CID 136571882
(2R)-2-(1-bicyclo[2.2.1]heptanylmethylamino)-2-(1-methylpyrazol-4-yl)ethanol
CID 164632154
[1-[(1S)-2-methyl-1-[(1-propan-2-ylpyrazol-4-yl)methylamino]propyl]cyclopentyl]methanol
CID 164636642
(1R)-2-(dicyclopentylmethylamino)-1-(1-methylpyrazol-4-yl)ethanol
CID 164637002
[1-(Ethylamino)-2-[2-[4-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopentyl]methanol
CID 79568066
[1-(Methylamino)-2-[2-[4-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclopentyl]methanol
CID 79571256
1-Cyclopentyl-3-[4-(trifluoromethyl)pyrazol-1-yl]propan-2-ol
CID 103160404
cis-3-[(S*)-[(1-cyclopentylpiperidin-4-yl)amino](1-methyl-1H-pyrazol-4-yl)methyl]cyclobutanol
CID 91788611
(3R)-3-cyclopentyl-3-(4-propan-2-ylpyrazol-1-yl)propan-1-ol
CID 67965136
[2-(4-Propan-2-ylpyrazol-1-yl)cyclopentyl]methanol
CID 67965145
[1-(4-Propan-2-ylpyrazol-1-yl)cyclohexyl]methanol
CID 70846477
3-Cyclopentyl-3-(4-methylpyrazol-1-yl)propan-1-ol
CID 144151839

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[1-(1-methylpyrazol-4-yl)ethylamino]propan-2-ol?
The IUPAC name of 1-cyclopentyl-3-[1-(1-methylpyrazol-4-yl)ethylamino]propan-2-ol (CID 132970547) is 1-cyclopentyl-3-[1-(1-methylpyrazol-4-yl)ethylamino]propan-2-ol.
What is the SMILES notation for 1-cyclopentyl-3-[1-(1-methylpyrazol-4-yl)ethylamino]propan-2-ol?
The canonical SMILES for 1-cyclopentyl-3-[1-(1-methylpyrazol-4-yl)ethylamino]propan-2-ol is CC(NCC(O)CC1CCCC1)c1cnn(C)c1.
What is the InChIKey of 1-cyclopentyl-3-[1-(1-methylpyrazol-4-yl)ethylamino]propan-2-ol?
The InChIKey is JLIHSZZEZPONLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-11(13-8-16-17(2)10-13)15-9-14(18)7-12-5-3-4-6-12/h8,10-12,14-15,18H,3-7,9H2,1-2H3.
What are the key properties of 1-cyclopentyl-3-[1-(1-methylpyrazol-4-yl)ethylamino]propan-2-ol?
1-cyclopentyl-3-[1-(1-methylpyrazol-4-yl)ethylamino]propan-2-ol has a molecular weight of 251.37 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[1-(1-methylpyrazol-4-yl)ethylamino]propan-2-ol is sourced from PubChem (CID 132970547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).