3-[[(1-propan-2-ylpyrazol-4-yl)methylamino]methyl]hexan-1-ol

C14H27N3O — CID 103707888

IUPAC3-[[(1-propan-2-ylpyrazol-4-yl)methylamino]methyl]hexan-1-ol
SMILESCCCC(CCO)CNCc1cnn(C(C)C)c1
InChIInChI=1S/C14H27N3O/c1-4-5-13(6-7-18)8-15-9-14-10-16-17(11-14)12(2)3/h10-13,15,18H,4-9H2,1-3H3
InChIKeyMREFYJFYFBYDGM-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.35
Rot. Bonds9

About 3-[[(1-propan-2-ylpyrazol-4-yl)methylamino]methyl]hexan-1-ol

3-[[(1-propan-2-ylpyrazol-4-yl)methylamino]methyl]hexan-1-ol (PubChem CID 103707888) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 3-[[(1-propan-2-ylpyrazol-4-yl)methylamino]methyl]hexan-1-ol.

Molecular Properties

Compound Name3-[[(1-propan-2-ylpyrazol-4-yl)methylamino]methyl]hexan-1-ol
PubChem CID103707888
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name3-[[(1-propan-2-ylpyrazol-4-yl)methylamino]methyl]hexan-1-ol
SMILESCCCC(CCO)CNCc1cnn(C(C)C)c1
InChIInChI=1S/C14H27N3O/c1-4-5-13(6-7-18)8-15-9-14-10-16-17(11-14)12(2)3/h10-13,15,18H,4-9H2,1-3H3
InChIKeyMREFYJFYFBYDGM-UHFFFAOYSA-N
XLogP2.35
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

rac-((3R,4S)-4-(1-(propan-2-yl)-1H-pyrazol-4-yl)pyrrolidin-3-yl)methanol
CID 119031216
N-[1-(trans-3-hydroxycyclobutyl)propyl]-2-(4-methyl-1H-pyrazol-1-yl)acetamide
CID 91771374
1-[(2S,3R)-2-tert-butyloxolan-3-yl]-N-[(1-propan-2-ylpyrazol-4-yl)methyl]methanamine
CID 99827518
1-Cyclopentyl-3-[1-(1-methylpyrazol-4-yl)ethylamino]propan-2-ol
CID 132970547
[1-[(1S)-2-methyl-1-[(1-propan-2-ylpyrazol-4-yl)methylamino]propyl]cyclopentyl]methanol
CID 164636642
2-Methyl-2-(methylamino)-5-[4-(trifluoromethyl)pyrazol-1-yl]pentan-1-ol
CID 64808780
2-Methyl-2-(propylamino)-5-[4-(trifluoromethyl)pyrazol-1-yl]pentan-1-ol
CID 64808781
2-Methyl-2-(propan-2-ylamino)-4-[4-(trifluoromethyl)pyrazol-1-yl]pentan-1-ol
CID 64808782
2-Cyclopropyl-2-(propan-2-ylamino)-3-[4-(trifluoromethyl)pyrazol-1-yl]propan-1-ol
CID 64808994
2-(Propylamino)-4-[4-(trifluoromethyl)pyrazol-1-yl]butan-1-ol
CID 64809204
2-Amino-2-methyl-6-[4-(trifluoromethyl)pyrazol-1-yl]hexan-1-ol
CID 64809412
2-Methyl-2-(methylamino)-4-[4-(trifluoromethyl)pyrazol-1-yl]butan-1-ol
CID 64809414

Frequently Asked Questions

What is the IUPAC name of 3-[[(1-propan-2-ylpyrazol-4-yl)methylamino]methyl]hexan-1-ol?
The IUPAC name of 3-[[(1-propan-2-ylpyrazol-4-yl)methylamino]methyl]hexan-1-ol (CID 103707888) is 3-[[(1-propan-2-ylpyrazol-4-yl)methylamino]methyl]hexan-1-ol.
What is the SMILES notation for 3-[[(1-propan-2-ylpyrazol-4-yl)methylamino]methyl]hexan-1-ol?
The canonical SMILES for 3-[[(1-propan-2-ylpyrazol-4-yl)methylamino]methyl]hexan-1-ol is CCCC(CCO)CNCc1cnn(C(C)C)c1.
What is the InChIKey of 3-[[(1-propan-2-ylpyrazol-4-yl)methylamino]methyl]hexan-1-ol?
The InChIKey is MREFYJFYFBYDGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-4-5-13(6-7-18)8-15-9-14-10-16-17(11-14)12(2)3/h10-13,15,18H,4-9H2,1-3H3.
What are the key properties of 3-[[(1-propan-2-ylpyrazol-4-yl)methylamino]methyl]hexan-1-ol?
3-[[(1-propan-2-ylpyrazol-4-yl)methylamino]methyl]hexan-1-ol has a molecular weight of 253.39 g/mol, XLogP of 2.35, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1-propan-2-ylpyrazol-4-yl)methylamino]methyl]hexan-1-ol is sourced from PubChem (CID 103707888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).