5-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]-4,4-dimethylpentan-2-ol

C14H27N3O — CID 110011190

IUPAC5-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]-4,4-dimethylpentan-2-ol
SMILESCc1c(C(C)NCC(C)(C)CC(C)O)cnn1C
InChIInChI=1S/C14H27N3O/c1-10(18)7-14(4,5)9-15-11(2)13-8-16-17(6)12(13)3/h8,10-11,15,18H,7,9H2,1-6H3
InChIKeyGAMYDRBMFJVGBO-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.18
Rot. Bonds6

About 5-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]-4,4-dimethylpentan-2-ol

5-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]-4,4-dimethylpentan-2-ol (PubChem CID 110011190) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 5-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]-4,4-dimethylpentan-2-ol.

Molecular Properties

Compound Name5-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]-4,4-dimethylpentan-2-ol
PubChem CID110011190
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name5-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]-4,4-dimethylpentan-2-ol
SMILESCc1c(C(C)NCC(C)(C)CC(C)O)cnn1C
InChIInChI=1S/C14H27N3O/c1-10(18)7-14(4,5)9-15-11(2)13-8-16-17(6)12(13)3/h8,10-11,15,18H,7,9H2,1-6H3
InChIKeyGAMYDRBMFJVGBO-UHFFFAOYSA-N
XLogP2.18
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[(1,5-Dimethylpyrazol-4-yl)methyl]piperidin-4-yl]ethanol
CID 53193291
5-{[(1-allyl-3-methyl-1H-pyrazol-4-yl)methyl]amino}-2,2-dimethylpentan-1-ol
CID 46994365
1-[1-(1,3-Dimethylpyrazol-4-yl)ethyl]-3-(3-ethyl-2-hydroxypentyl)urea
CID 72018567
[(1R,4S)-4-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]cyclopent-2-en-1-yl]methanol
CID 86787486
2-(1,5-Dimethylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)ethanol
CID 79584577
2-(3-Tert-butyl-1-methylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)ethanol
CID 83091811
2-(1,3-Dimethylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)ethanol
CID 83091812
3-[1-(1,3-Dimethylpyrazol-4-yl)ethylamino]-1,1,1-trifluoropropan-2-ol
CID 103778668
3-[1-(1,3-Dimethylpyrazol-4-yl)ethylamino]-1,1-difluoropropan-2-ol
CID 103787961
3-[(3-Tert-butyl-1-methylpyrazol-4-yl)methylamino]-1,1,1-trifluoropropan-2-ol
CID 103887684
3-[(3-Ethyl-1-methylpyrazol-4-yl)methylamino]-1,1-difluoropropan-2-ol
CID 103894016
3-[(3-Ethyl-1-methylpyrazol-4-yl)methylamino]-2,2-difluoropropan-1-ol
CID 104857471

Frequently Asked Questions

What is the IUPAC name of 5-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]-4,4-dimethylpentan-2-ol?
The IUPAC name of 5-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]-4,4-dimethylpentan-2-ol (CID 110011190) is 5-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]-4,4-dimethylpentan-2-ol.
What is the SMILES notation for 5-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]-4,4-dimethylpentan-2-ol?
The canonical SMILES for 5-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]-4,4-dimethylpentan-2-ol is Cc1c(C(C)NCC(C)(C)CC(C)O)cnn1C.
What is the InChIKey of 5-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]-4,4-dimethylpentan-2-ol?
The InChIKey is GAMYDRBMFJVGBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-10(18)7-14(4,5)9-15-11(2)13-8-16-17(6)12(13)3/h8,10-11,15,18H,7,9H2,1-6H3.
What are the key properties of 5-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]-4,4-dimethylpentan-2-ol?
5-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]-4,4-dimethylpentan-2-ol has a molecular weight of 253.39 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]-4,4-dimethylpentan-2-ol is sourced from PubChem (CID 110011190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).