4-[3-(3,5-dimethylpyrazol-1-yl)propyl-methylamino]-2-methylbutan-2-ol

C14H27N3O — CID 91832922

IUPAC4-[3-(3,5-dimethylpyrazol-1-yl)propyl-methylamino]-2-methylbutan-2-ol
SMILESCc1cc(C)n(CCCN(C)CCC(C)(C)O)n1
InChIInChI=1S/C14H27N3O/c1-12-11-13(2)17(15-12)9-6-8-16(5)10-7-14(3,4)18/h11,18H,6-10H2,1-5H3
InChIKeyWRBQDWUBCIPIFQ-UHFFFAOYSA-N
MW253.39 g/mol
LogP1.98
Rot. Bonds7

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

4-[3-(3,5-dimethylpyrazol-1-yl)propyl-methylamino]-2-methylbutan-2-ol (PubChem CID 91832922) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 4-[3-(3,5-dimethylpyrazol-1-yl)propyl-methylamino]-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-[3-(3,5-dimethylpyrazol-1-yl)propyl-methylamino]-2-methylbutan-2-ol
PubChem CID91832922
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name4-[3-(3,5-dimethylpyrazol-1-yl)propyl-methylamino]-2-methylbutan-2-ol
SMILESCc1cc(C)n(CCCN(C)CCC(C)(C)O)n1
InChIInChI=1S/C14H27N3O/c1-12-11-13(2)17(15-12)9-6-8-16(5)10-7-14(3,4)18/h11,18H,6-10H2,1-5H3
InChIKeyWRBQDWUBCIPIFQ-UHFFFAOYSA-N
XLogP1.98
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-Dimethylpyrazol-1-methanol
CID 96393
1-Allyl-3,5-dimethylpyrazole
CID 25930
2-(3,5-Dimethyl-1H-pyrazol-1-yl)ethan-1-ol
CID 259665
3-(3,5-dimethyl-1H-pyrazol-1-yl)propanoic acid
CID 3131824
3-(3,5-Dimethyl-1H-pyrazol-1-yl)-2-methylpropanoic acid
CID 2758649
1-Butyl-3,5-dimethyl-1H-pyrazole
CID 573083
1-Ethyl-3,5-dimethyl-1H-pyrazole
CID 565993
N-[1-(3,5-dimethyl-1H-pyrazol-1-yl)propan-2-ylidene]hydroxylamine
CID 42962772
4-(3,5-Dimethyl-1h-pyrazol-1-yl)butan-2-one
CID 14400301
3,5-Dimethyl-1-hydroxymethylpyrazol hydrochloride
CID 23166942
3-(3,5-Dimethyl-1-pyrazolyl)-2-methylbutanoic acid
CID 45596943
1-(3,5-Dimethyl-1H-pyrazol-1-yl)-3-fluoropropan-2-ol
CID 131071192

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3,5-dimethylpyrazol-1-yl)propyl-methylamino]-2-methylbutan-2-ol?
The IUPAC name of 4-[3-(3,5-dimethylpyrazol-1-yl)propyl-methylamino]-2-methylbutan-2-ol (CID 91832922) is 4-[3-(3,5-dimethylpyrazol-1-yl)propyl-methylamino]-2-methylbutan-2-ol.
What is the SMILES notation for 4-[3-(3,5-dimethylpyrazol-1-yl)propyl-methylamino]-2-methylbutan-2-ol?
The canonical SMILES for 4-[3-(3,5-dimethylpyrazol-1-yl)propyl-methylamino]-2-methylbutan-2-ol is Cc1cc(C)n(CCCN(C)CCC(C)(C)O)n1.
What is the InChIKey of 4-[3-(3,5-dimethylpyrazol-1-yl)propyl-methylamino]-2-methylbutan-2-ol?
The InChIKey is WRBQDWUBCIPIFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-12-11-13(2)17(15-12)9-6-8-16(5)10-7-14(3,4)18/h11,18H,6-10H2,1-5H3.
What are the key properties of 4-[3-(3,5-dimethylpyrazol-1-yl)propyl-methylamino]-2-methylbutan-2-ol?
4-[3-(3,5-dimethylpyrazol-1-yl)propyl-methylamino]-2-methylbutan-2-ol has a molecular weight of 253.39 g/mol, XLogP of 1.98, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3,5-dimethylpyrazol-1-yl)propyl-methylamino]-2-methylbutan-2-ol is sourced from PubChem (CID 91832922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).