5-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]-4,4-dimethylpentan-2-ol

C15H29N3O — CID 111467961

IUPAC5-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]-4,4-dimethylpentan-2-ol
SMILESCCn1nc(C)c(CNCC(C)(C)CC(C)O)c1C
InChIInChI=1S/C15H29N3O/c1-7-18-13(4)14(12(3)17-18)9-16-10-15(5,6)8-11(2)19/h11,16,19H,7-10H2,1-6H3
InChIKeyIIPJRHLBTNWPPT-UHFFFAOYSA-N
MW267.42 g/mol
LogP2.41
Rot. Bonds7

About 5-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]-4,4-dimethylpentan-2-ol

5-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]-4,4-dimethylpentan-2-ol (PubChem CID 111467961) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 5-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]-4,4-dimethylpentan-2-ol.

Molecular Properties

Compound Name5-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]-4,4-dimethylpentan-2-ol
PubChem CID111467961
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name5-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]-4,4-dimethylpentan-2-ol
SMILESCCn1nc(C)c(CNCC(C)(C)CC(C)O)c1C
InChIInChI=1S/C15H29N3O/c1-7-18-13(4)14(12(3)17-18)9-16-10-15(5,6)8-11(2)19/h11,16,19H,7-10H2,1-6H3
InChIKeyIIPJRHLBTNWPPT-UHFFFAOYSA-N
XLogP2.41
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]propan-2-ol;hydrochloride
CID 115614115
(2S)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-methyl-4-methylsulfanylpentan-2-amine
CID 95119668
3-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]-2-methylpropan-1-ol;hydrochloride
CID 115614299
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]propan-2-amine;hydrochloride
CID 75530696
5-[(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]-4,4-dimethylpentan-2-ol
CID 111467957
1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-methylmethanamine
CID 7022224
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]prop-2-en-1-amine
CID 129322576
2-[[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]methyl]-4-methylpentanoic acid
CID 122127650
N'-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]propane-1,3-diamine
CID 19621007
1-(3,5-dichlorophenyl)-2-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]ethanol
CID 111427348
methyl N-[1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]-1-oxopropan-2-yl]carbamate
CID 90647625
1-[[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]methyl]cyclohexan-1-ol
CID 111104684

Frequently Asked Questions

What is the IUPAC name of 5-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]-4,4-dimethylpentan-2-ol?
The IUPAC name of 5-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]-4,4-dimethylpentan-2-ol (CID 111467961) is 5-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]-4,4-dimethylpentan-2-ol.
What is the SMILES notation for 5-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]-4,4-dimethylpentan-2-ol?
The canonical SMILES for 5-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]-4,4-dimethylpentan-2-ol is CCn1nc(C)c(CNCC(C)(C)CC(C)O)c1C.
What is the InChIKey of 5-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]-4,4-dimethylpentan-2-ol?
The InChIKey is IIPJRHLBTNWPPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-7-18-13(4)14(12(3)17-18)9-16-10-15(5,6)8-11(2)19/h11,16,19H,7-10H2,1-6H3.
What are the key properties of 5-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]-4,4-dimethylpentan-2-ol?
5-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]-4,4-dimethylpentan-2-ol has a molecular weight of 267.42 g/mol, XLogP of 2.41, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]-4,4-dimethylpentan-2-ol is sourced from PubChem (CID 111467961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).