3-[3,5-dimethyl-1-(3-methylbutyl)pyrazol-4-yl]-2-methyl-N-propan-2-ylpropan-1-amine

C17H33N3 — CID 79225074

IUPAC3-[3,5-dimethyl-1-(3-methylbutyl)pyrazol-4-yl]-2-methyl-N-propan-2-ylpropan-1-amine
SMILESCc1nn(CCC(C)C)c(C)c1CC(C)CNC(C)C
InChIInChI=1S/C17H33N3/c1-12(2)8-9-20-16(7)17(15(6)19-20)10-14(5)11-18-13(3)4/h12-14,18H,8-11H2,1-7H3
InChIKeyLXRQLJBCIBBZNJ-UHFFFAOYSA-N
MW279.47 g/mol
LogP3.72
Rot. Bonds8

About 3-[3,5-dimethyl-1-(3-methylbutyl)pyrazol-4-yl]-2-methyl-N-propan-2-ylpropan-1-amine

3-[3,5-dimethyl-1-(3-methylbutyl)pyrazol-4-yl]-2-methyl-N-propan-2-ylpropan-1-amine (PubChem CID 79225074) has the molecular formula C17H33N3 and a molecular weight of 279.47 g/mol. Its IUPAC name is 3-[3,5-dimethyl-1-(3-methylbutyl)pyrazol-4-yl]-2-methyl-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-[3,5-dimethyl-1-(3-methylbutyl)pyrazol-4-yl]-2-methyl-N-propan-2-ylpropan-1-amine
PubChem CID79225074
Molecular FormulaC17H33N3
Molecular Weight279.47 g/mol
Exact Mass279.27
IUPAC Name3-[3,5-dimethyl-1-(3-methylbutyl)pyrazol-4-yl]-2-methyl-N-propan-2-ylpropan-1-amine
SMILESCc1nn(CCC(C)C)c(C)c1CC(C)CNC(C)C
InChIInChI=1S/C17H33N3/c1-12(2)8-9-20-16(7)17(15(6)19-20)10-14(5)11-18-13(3)4/h12-14,18H,8-11H2,1-7H3
InChIKeyLXRQLJBCIBBZNJ-UHFFFAOYSA-N
XLogP3.72
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(2-fluoroethyl)-3,5-dimethylpyrazol-4-yl]methyl]propan-2-amine
CID 80693701
3-(4,6-dimethyl-2-propylpyrimidin-5-yl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 65293588
3-(3,5-dimethyl-1-pyridazin-3-ylpyrazol-4-yl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 103294582
N-[3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-methylpropyl]cyclopropanamine
CID 79224989
N-[2-[3,5-dimethyl-1-(4-methylpentyl)pyrazol-4-yl]ethyl]-2-methylpropan-1-amine
CID 83168483
3-[4,6-dimethyl-2-(propan-2-ylsulfanylmethyl)pyrimidin-5-yl]-2-methyl-N-propan-2-ylpropan-1-amine
CID 65294013
3-(3,5-dimethyl-1-propylpyrazol-4-yl)-N-propan-2-ylpropan-1-amine
CID 79225845
3-(4,6-dimethyl-2-propan-2-ylpyrimidin-5-yl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 65293872
3-[1-[2-(dimethylamino)ethyl]-3,5-dimethylpyrazol-4-yl]-2-methylpropan-1-amine
CID 79224869
N-[[1-(3-methoxypropyl)-3,5-dimethylpyrazol-4-yl]methyl]propan-2-amine
CID 60925347
5-chloro-4-ethyl-3-methyl-1-(3-methylbutyl)pyrazole
CID 66020171
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]propan-2-amine;hydrochloride
CID 75530696

Frequently Asked Questions

What is the IUPAC name of 3-[3,5-dimethyl-1-(3-methylbutyl)pyrazol-4-yl]-2-methyl-N-propan-2-ylpropan-1-amine?
The IUPAC name of 3-[3,5-dimethyl-1-(3-methylbutyl)pyrazol-4-yl]-2-methyl-N-propan-2-ylpropan-1-amine (CID 79225074) is 3-[3,5-dimethyl-1-(3-methylbutyl)pyrazol-4-yl]-2-methyl-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 3-[3,5-dimethyl-1-(3-methylbutyl)pyrazol-4-yl]-2-methyl-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 3-[3,5-dimethyl-1-(3-methylbutyl)pyrazol-4-yl]-2-methyl-N-propan-2-ylpropan-1-amine is Cc1nn(CCC(C)C)c(C)c1CC(C)CNC(C)C.
What is the InChIKey of 3-[3,5-dimethyl-1-(3-methylbutyl)pyrazol-4-yl]-2-methyl-N-propan-2-ylpropan-1-amine?
The InChIKey is LXRQLJBCIBBZNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3/c1-12(2)8-9-20-16(7)17(15(6)19-20)10-14(5)11-18-13(3)4/h12-14,18H,8-11H2,1-7H3.
What are the key properties of 3-[3,5-dimethyl-1-(3-methylbutyl)pyrazol-4-yl]-2-methyl-N-propan-2-ylpropan-1-amine?
3-[3,5-dimethyl-1-(3-methylbutyl)pyrazol-4-yl]-2-methyl-N-propan-2-ylpropan-1-amine has a molecular weight of 279.47 g/mol, XLogP of 3.72, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,5-dimethyl-1-(3-methylbutyl)pyrazol-4-yl]-2-methyl-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 79225074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).