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

C15H29N3O — CID 66171847

IUPAC1-[(1,3-diethylpyrazol-5-yl)methylamino]-2,4-dimethylpentan-2-ol
SMILESCCc1cc(CNCC(C)(O)CC(C)C)n(CC)n1
InChIInChI=1S/C15H29N3O/c1-6-13-8-14(18(7-2)17-13)10-16-11-15(5,19)9-12(3)4/h8,12,16,19H,6-7,9-11H2,1-5H3
InChIKeyNSPFHHVYKLCOMK-UHFFFAOYSA-N
MW267.42 g/mol
LogP2.35
Rot. Bonds8

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

1-[(1,3-diethylpyrazol-5-yl)methylamino]-2,4-dimethylpentan-2-ol (PubChem CID 66171847) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 1-[(1,3-diethylpyrazol-5-yl)methylamino]-2,4-dimethylpentan-2-ol.

Molecular Properties

Compound Name1-[(1,3-diethylpyrazol-5-yl)methylamino]-2,4-dimethylpentan-2-ol
PubChem CID66171847
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name1-[(1,3-diethylpyrazol-5-yl)methylamino]-2,4-dimethylpentan-2-ol
SMILESCCc1cc(CNCC(C)(O)CC(C)C)n(CC)n1
InChIInChI=1S/C15H29N3O/c1-6-13-8-14(18(7-2)17-13)10-16-11-15(5,19)9-12(3)4/h8,12,16,19H,6-7,9-11H2,1-5H3
InChIKeyNSPFHHVYKLCOMK-UHFFFAOYSA-N
XLogP2.35
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,3-diethylpyrazol-5-yl)-2-methyl-4-(2-methylpropylamino)butan-2-ol
CID 66001476
2-[(1,3-diethylpyrazol-5-yl)methylamino]-2-(hydroxymethyl)propane-1,3-diol
CID 107852272
2-[(1,3-diethylpyrazol-5-yl)methyl]-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine
CID 83141535
1-[(2-ethyl-5-methylpyrazol-3-yl)methylamino]-4-methoxy-2-methylbutan-2-ol
CID 114164718
N-[(1,3-diethylpyrazol-5-yl)methyl]-3-iodopropan-1-amine
CID 114503610
4-bromo-N-[(1,3-diethylpyrazol-5-yl)methyl]butan-1-amine
CID 106844918
2-[(1,3-diethylpyrazol-5-yl)methyl]-2,3-dimethyl-N-propan-2-ylbutan-1-amine
CID 83150695
1-(1,3-diethylpyrazol-5-yl)-3-ethylpentane-2,3-diol
CID 103449476
2,4-dimethyl-1-[(2,4,5-trimethylphenyl)methylamino]pentan-2-ol
CID 66178191
2-[1-[[(1,3-diethylpyrazol-5-yl)methylamino]methyl]cyclopropyl]ethanol
CID 114756258
2-[(1,3-diethylpyrazol-5-yl)methyl]-2-methylpropane-1,3-diol
CID 79450356
N-[(1,3-diethylpyrazol-5-yl)methyl]-3-fluoro-5-methylaniline
CID 79055004

Frequently Asked Questions

What is the IUPAC name of 1-[(1,3-diethylpyrazol-5-yl)methylamino]-2,4-dimethylpentan-2-ol?
The IUPAC name of 1-[(1,3-diethylpyrazol-5-yl)methylamino]-2,4-dimethylpentan-2-ol (CID 66171847) is 1-[(1,3-diethylpyrazol-5-yl)methylamino]-2,4-dimethylpentan-2-ol.
What is the SMILES notation for 1-[(1,3-diethylpyrazol-5-yl)methylamino]-2,4-dimethylpentan-2-ol?
The canonical SMILES for 1-[(1,3-diethylpyrazol-5-yl)methylamino]-2,4-dimethylpentan-2-ol is CCc1cc(CNCC(C)(O)CC(C)C)n(CC)n1.
What is the InChIKey of 1-[(1,3-diethylpyrazol-5-yl)methylamino]-2,4-dimethylpentan-2-ol?
The InChIKey is NSPFHHVYKLCOMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-6-13-8-14(18(7-2)17-13)10-16-11-15(5,19)9-12(3)4/h8,12,16,19H,6-7,9-11H2,1-5H3.
What are the key properties of 1-[(1,3-diethylpyrazol-5-yl)methylamino]-2,4-dimethylpentan-2-ol?
1-[(1,3-diethylpyrazol-5-yl)methylamino]-2,4-dimethylpentan-2-ol has a molecular weight of 267.42 g/mol, XLogP of 2.35, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,3-diethylpyrazol-5-yl)methylamino]-2,4-dimethylpentan-2-ol is sourced from PubChem (CID 66171847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).