3-(1-ethylpyrazol-4-yl)-2-methyl-N-propan-2-ylpropan-1-amine

C12H23N3 — CID 62529282

IUPAC3-(1-ethylpyrazol-4-yl)-2-methyl-N-propan-2-ylpropan-1-amine
SMILESCCn1cc(CC(C)CNC(C)C)cn1
InChIInChI=1S/C12H23N3/c1-5-15-9-12(8-14-15)6-11(4)7-13-10(2)3/h8-11,13H,5-7H2,1-4H3
InChIKeyLLHFWOQRSRCWOI-UHFFFAOYSA-N
MW209.34 g/mol
LogP2.08
Rot. Bonds6

About 3-(1-ethylpyrazol-4-yl)-2-methyl-N-propan-2-ylpropan-1-amine

3-(1-ethylpyrazol-4-yl)-2-methyl-N-propan-2-ylpropan-1-amine (PubChem CID 62529282) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 3-(1-ethylpyrazol-4-yl)-2-methyl-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-(1-ethylpyrazol-4-yl)-2-methyl-N-propan-2-ylpropan-1-amine
PubChem CID62529282
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name3-(1-ethylpyrazol-4-yl)-2-methyl-N-propan-2-ylpropan-1-amine
SMILESCCn1cc(CC(C)CNC(C)C)cn1
InChIInChI=1S/C12H23N3/c1-5-15-9-12(8-14-15)6-11(4)7-13-10(2)3/h8-11,13H,5-7H2,1-4H3
InChIKeyLLHFWOQRSRCWOI-UHFFFAOYSA-N
XLogP2.08
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-ethylpyrazol-4-yl)methyl]-3-methyl-N-propan-2-ylbutan-1-amine
CID 55082915
3-(1-ethylpyrazol-4-yl)-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 62528296
N-tert-butyl-3-(1-ethylpyrazol-4-yl)-2-methylpropan-1-amine
CID 62530899
1-(1-ethylpyrazol-4-yl)-3-methyl-N-propylbutan-2-amine
CID 62125581
N-[[1-[(1-ethylpyrazol-4-yl)methyl]cyclobutyl]methyl]propan-2-amine
CID 65194328
1-(1-ethylpyrazol-4-yl)-4-methylhexan-2-amine
CID 115822655
N-ethyl-1-(1-ethylpyrazol-4-yl)-3,3-dimethylbutan-2-amine
CID 62126621
[1-(1-ethylpyrazol-4-yl)-4-methylhexan-2-yl]hydrazine
CID 105291388
N-ethyl-2-(1-ethylpyrazol-4-yl)-1-(4-propan-2-ylphenyl)ethanamine
CID 62125739
2-[(1-ethylpyrazol-4-yl)methyl]butan-1-amine
CID 62505904
3-cyclopropyl-1-(1-ethylpyrazol-4-yl)-N-propylbutan-2-amine
CID 115822934
N-ethyl-1-(1-ethylpyrazol-4-yl)-5-methoxyhexan-2-amine
CID 105114560

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethylpyrazol-4-yl)-2-methyl-N-propan-2-ylpropan-1-amine?
The IUPAC name of 3-(1-ethylpyrazol-4-yl)-2-methyl-N-propan-2-ylpropan-1-amine (CID 62529282) is 3-(1-ethylpyrazol-4-yl)-2-methyl-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 3-(1-ethylpyrazol-4-yl)-2-methyl-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 3-(1-ethylpyrazol-4-yl)-2-methyl-N-propan-2-ylpropan-1-amine is CCn1cc(CC(C)CNC(C)C)cn1.
What is the InChIKey of 3-(1-ethylpyrazol-4-yl)-2-methyl-N-propan-2-ylpropan-1-amine?
The InChIKey is LLHFWOQRSRCWOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-5-15-9-12(8-14-15)6-11(4)7-13-10(2)3/h8-11,13H,5-7H2,1-4H3.
What are the key properties of 3-(1-ethylpyrazol-4-yl)-2-methyl-N-propan-2-ylpropan-1-amine?
3-(1-ethylpyrazol-4-yl)-2-methyl-N-propan-2-ylpropan-1-amine has a molecular weight of 209.34 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethylpyrazol-4-yl)-2-methyl-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 62529282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).