N-tert-butyl-3-(1-ethylpyrazol-4-yl)-2-methylpropan-1-amine

C13H25N3 — CID 62530899

IUPACN-tert-butyl-3-(1-ethylpyrazol-4-yl)-2-methylpropan-1-amine
SMILESCCn1cc(CC(C)CNC(C)(C)C)cn1
InChIInChI=1S/C13H25N3/c1-6-16-10-12(9-15-16)7-11(2)8-14-13(3,4)5/h9-11,14H,6-8H2,1-5H3
InChIKeySDQWBCLQZGVIGF-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.47
Rot. Bonds5

About N-tert-butyl-3-(1-ethylpyrazol-4-yl)-2-methylpropan-1-amine

N-tert-butyl-3-(1-ethylpyrazol-4-yl)-2-methylpropan-1-amine (PubChem CID 62530899) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is N-tert-butyl-3-(1-ethylpyrazol-4-yl)-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-3-(1-ethylpyrazol-4-yl)-2-methylpropan-1-amine
PubChem CID62530899
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC NameN-tert-butyl-3-(1-ethylpyrazol-4-yl)-2-methylpropan-1-amine
SMILESCCn1cc(CC(C)CNC(C)(C)C)cn1
InChIInChI=1S/C13H25N3/c1-6-16-10-12(9-15-16)7-11(2)8-14-13(3,4)5/h9-11,14H,6-8H2,1-5H3
InChIKeySDQWBCLQZGVIGF-UHFFFAOYSA-N
XLogP2.47
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-ethylpyrazol-4-yl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 62529282
3-(1-ethylpyrazol-4-yl)-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 62528296
N-[(1-ethylpyrazol-4-yl)methyl]-2,3,3-trimethylbutan-1-amine
CID 78966858
N-tert-butyl-3-(1-ethylpyrazol-4-yl)-2,2-dimethylpropan-1-amine
CID 62724346
N-ethyl-1-(1-ethylpyrazol-4-yl)-3,3-dimethylbutan-2-amine
CID 62126621
2-[(1-ethylpyrazol-4-yl)methyl]-3-methyl-N-propan-2-ylbutan-1-amine
CID 55082915
1-(1-ethylpyrazol-4-yl)-3,3-dimethylpentan-2-ol
CID 115780671
3-(4-bromo-1-ethylpyrazol-5-yl)-N-tert-butyl-2-methylpropan-1-amine
CID 114664528
N-[2-[(1-ethylpyrazol-4-yl)methyl]-3,3-dimethylbutyl]cyclopropanamine
CID 83139327
1-(1-ethylpyrazol-4-yl)-4-methylhexan-2-amine
CID 115822655
1-(1-ethylpyrazol-4-yl)-3-methyl-N-propylbutan-2-amine
CID 62125581
[1-(1-ethylpyrazol-4-yl)-4-methylhexan-2-yl]hydrazine
CID 105291388

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-(1-ethylpyrazol-4-yl)-2-methylpropan-1-amine?
The IUPAC name of N-tert-butyl-3-(1-ethylpyrazol-4-yl)-2-methylpropan-1-amine (CID 62530899) is N-tert-butyl-3-(1-ethylpyrazol-4-yl)-2-methylpropan-1-amine.
What is the SMILES notation for N-tert-butyl-3-(1-ethylpyrazol-4-yl)-2-methylpropan-1-amine?
The canonical SMILES for N-tert-butyl-3-(1-ethylpyrazol-4-yl)-2-methylpropan-1-amine is CCn1cc(CC(C)CNC(C)(C)C)cn1.
What is the InChIKey of N-tert-butyl-3-(1-ethylpyrazol-4-yl)-2-methylpropan-1-amine?
The InChIKey is SDQWBCLQZGVIGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-6-16-10-12(9-15-16)7-11(2)8-14-13(3,4)5/h9-11,14H,6-8H2,1-5H3.
What are the key properties of N-tert-butyl-3-(1-ethylpyrazol-4-yl)-2-methylpropan-1-amine?
N-tert-butyl-3-(1-ethylpyrazol-4-yl)-2-methylpropan-1-amine has a molecular weight of 223.36 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-(1-ethylpyrazol-4-yl)-2-methylpropan-1-amine is sourced from PubChem (CID 62530899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).