1-cyclobutyl-N-ethyl-3-(2-methylpyrazol-3-yl)propan-1-amine

C13H23N3 — CID 103010387

IUPAC1-cyclobutyl-N-ethyl-3-(2-methylpyrazol-3-yl)propan-1-amine
SMILESCCNC(CCc1ccnn1C)C1CCC1
InChIInChI=1S/C13H23N3/c1-3-14-13(11-5-4-6-11)8-7-12-9-10-15-16(12)2/h9-11,13-14H,3-8H2,1-2H3
InChIKeyZJIJWHOPRUTEJH-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.13
Rot. Bonds6

About 1-cyclobutyl-N-ethyl-3-(2-methylpyrazol-3-yl)propan-1-amine

1-cyclobutyl-N-ethyl-3-(2-methylpyrazol-3-yl)propan-1-amine (PubChem CID 103010387) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 1-cyclobutyl-N-ethyl-3-(2-methylpyrazol-3-yl)propan-1-amine.

Molecular Properties

Compound Name1-cyclobutyl-N-ethyl-3-(2-methylpyrazol-3-yl)propan-1-amine
PubChem CID103010387
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name1-cyclobutyl-N-ethyl-3-(2-methylpyrazol-3-yl)propan-1-amine
SMILESCCNC(CCc1ccnn1C)C1CCC1
InChIInChI=1S/C13H23N3/c1-3-14-13(11-5-4-6-11)8-7-12-9-10-15-16(12)2/h9-11,13-14H,3-8H2,1-2H3
InChIKeyZJIJWHOPRUTEJH-UHFFFAOYSA-N
XLogP2.13
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-(4-methylcyclohexyl)-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103009722
1-(7-bicyclo[4.1.0]heptanyl)-N-ethyl-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103030487
N-ethyl-3-(2-methylpyrazol-3-yl)-1-(oxan-2-yl)propan-1-amine
CID 103030505
1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103012109
1-cyclohexyl-N-ethyl-1-methoxy-4-(2-methylpyrazol-3-yl)butan-2-amine
CID 103012610
1-cyclopropyl-N-[(2-methylpyrazol-3-yl)methyl]butan-1-amine
CID 115769814
1-(3-bicyclo[3.1.0]hexanyl)-3-(2-methylpyrazol-3-yl)-N-propylpropan-1-amine
CID 103030501
1-(2,3-dihydro-1-benzothiophen-3-yl)-N-ethyl-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103030479
1-cyclopropyl-N-[2-(2-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 104695065
1-cyclooctyl-3-(2-methylpyrazol-3-yl)propan-1-ol
CID 103008398
N-ethyl-4-(2-methylpyrazol-3-yl)-1-methylsulfanylbutan-2-amine
CID 103009884
1-(4-tert-butylcyclohexyl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103010665

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-N-ethyl-3-(2-methylpyrazol-3-yl)propan-1-amine?
The IUPAC name of 1-cyclobutyl-N-ethyl-3-(2-methylpyrazol-3-yl)propan-1-amine (CID 103010387) is 1-cyclobutyl-N-ethyl-3-(2-methylpyrazol-3-yl)propan-1-amine.
What is the SMILES notation for 1-cyclobutyl-N-ethyl-3-(2-methylpyrazol-3-yl)propan-1-amine?
The canonical SMILES for 1-cyclobutyl-N-ethyl-3-(2-methylpyrazol-3-yl)propan-1-amine is CCNC(CCc1ccnn1C)C1CCC1.
What is the InChIKey of 1-cyclobutyl-N-ethyl-3-(2-methylpyrazol-3-yl)propan-1-amine?
The InChIKey is ZJIJWHOPRUTEJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-3-14-13(11-5-4-6-11)8-7-12-9-10-15-16(12)2/h9-11,13-14H,3-8H2,1-2H3.
What are the key properties of 1-cyclobutyl-N-ethyl-3-(2-methylpyrazol-3-yl)propan-1-amine?
1-cyclobutyl-N-ethyl-3-(2-methylpyrazol-3-yl)propan-1-amine has a molecular weight of 221.35 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-N-ethyl-3-(2-methylpyrazol-3-yl)propan-1-amine is sourced from PubChem (CID 103010387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).