2-ethyl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]butan-1-amine

C13H25N3 — CID 64772112

IUPAC2-ethyl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]butan-1-amine
SMILESCCC(CC)(CN)Cc1ccn(C(C)C)n1
InChIInChI=1S/C13H25N3/c1-5-13(6-2,10-14)9-12-7-8-16(15-12)11(3)4/h7-8,11H,5-6,9-10,14H2,1-4H3
InChIKeyZCXAPVXPSMMVFR-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.77
Rot. Bonds6

About 2-ethyl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]butan-1-amine

2-ethyl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]butan-1-amine (PubChem CID 64772112) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 2-ethyl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]butan-1-amine.

Molecular Properties

Compound Name2-ethyl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]butan-1-amine
PubChem CID64772112
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name2-ethyl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]butan-1-amine
SMILESCCC(CC)(CN)Cc1ccn(C(C)C)n1
InChIInChI=1S/C13H25N3/c1-5-13(6-2,10-14)9-12-7-8-16(15-12)11(3)4/h7-8,11H,5-6,9-10,14H2,1-4H3
InChIKeyZCXAPVXPSMMVFR-UHFFFAOYSA-N
XLogP2.77
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-2-[(1-pentan-3-ylpyrazol-3-yl)methyl]butan-1-amine
CID 64779471
2-ethyl-2-[(1-pentan-3-ylpyrazol-3-yl)methyl]hexan-1-amine
CID 64779275
2-ethyl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]-N-propylhexan-1-amine
CID 64773388
2,3-dimethyl-1-(1-propan-2-ylpyrazol-3-yl)butan-2-ol
CID 64770980
2-(aminomethyl)-2-(4-methylphenyl)-3-(1-propan-2-ylpyrazol-3-yl)propan-1-ol
CID 106508554
1-amino-3-(1-propan-2-ylpyrazol-3-yl)propan-2-one
CID 116548395
tert-butyl N-[2-(hydroxymethyl)-2-[(1-propan-2-ylpyrazol-3-yl)methyl]butyl]carbamate
CID 106508417
diethyl 2-methyl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]propanedioate
CID 103972554
2-N,2-dimethyl-2-N-[(1-propan-2-ylpyrazol-3-yl)methyl]propane-1,2-diamine
CID 64773049
2-methyl-2-[(1-pentan-3-ylpyrazol-3-yl)methyl]butan-1-amine
CID 64779874
2-(5-fluoro-2-pyridinyl)-1-(1-propan-2-ylpyrazol-3-yl)butan-2-amine
CID 115940871
2,3-dimethyl-4-(1-propan-2-ylpyrazol-3-yl)butan-1-amine
CID 81009886

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]butan-1-amine?
The IUPAC name of 2-ethyl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]butan-1-amine (CID 64772112) is 2-ethyl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]butan-1-amine.
What is the SMILES notation for 2-ethyl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]butan-1-amine?
The canonical SMILES for 2-ethyl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]butan-1-amine is CCC(CC)(CN)Cc1ccn(C(C)C)n1.
What is the InChIKey of 2-ethyl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]butan-1-amine?
The InChIKey is ZCXAPVXPSMMVFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-5-13(6-2,10-14)9-12-7-8-16(15-12)11(3)4/h7-8,11H,5-6,9-10,14H2,1-4H3.
What are the key properties of 2-ethyl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]butan-1-amine?
2-ethyl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]butan-1-amine has a molecular weight of 223.36 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[(1-propan-2-ylpyrazol-3-yl)methyl]butan-1-amine is sourced from PubChem (CID 64772112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).