1-(5-cyclobutyl-1-ethylpyrazol-4-yl)-N-methylpropan-2-amine

C13H23N3 — CID 105478354

IUPAC1-(5-cyclobutyl-1-ethylpyrazol-4-yl)-N-methylpropan-2-amine
SMILESCCn1ncc(CC(C)NC)c1C1CCC1
InChIInChI=1S/C13H23N3/c1-4-16-13(11-6-5-7-11)12(9-15-16)8-10(2)14-3/h9-11,14H,4-8H2,1-3H3
InChIKeyZMTSVYBLACENNS-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.32
Rot. Bonds5

About 1-(5-cyclobutyl-1-ethylpyrazol-4-yl)-N-methylpropan-2-amine

1-(5-cyclobutyl-1-ethylpyrazol-4-yl)-N-methylpropan-2-amine (PubChem CID 105478354) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 1-(5-cyclobutyl-1-ethylpyrazol-4-yl)-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-(5-cyclobutyl-1-ethylpyrazol-4-yl)-N-methylpropan-2-amine
PubChem CID105478354
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name1-(5-cyclobutyl-1-ethylpyrazol-4-yl)-N-methylpropan-2-amine
SMILESCCn1ncc(CC(C)NC)c1C1CCC1
InChIInChI=1S/C13H23N3/c1-4-16-13(11-6-5-7-11)12(9-15-16)8-10(2)14-3/h9-11,14H,4-8H2,1-3H3
InChIKeyZMTSVYBLACENNS-UHFFFAOYSA-N
XLogP2.32
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-cyclopentyl-1-ethylpyrazol-4-yl)propan-2-amine
CID 105478345
1-(5-cyclopentyl-1-methylpyrazol-4-yl)-N-methylpropan-2-amine
CID 105478394
5-cyclobutyl-1-ethylpyrazol-4-ol
CID 105433092
N-[(5-cyclopropyl-1-ethylpyrazol-4-yl)methyl]ethanamine
CID 66440322
1-[2-(1-ethylpiperidin-3-yl)-1,3-oxazol-5-yl]-N-methylpropan-2-amine
CID 115085623
3-(5-cyclobutyl-1-methylpyrazol-4-yl)-2-methylpropanoic acid
CID 105479319
3-(4-chloro-1-ethylpyrazol-5-yl)cyclohexan-1-amine
CID 114663810
1-(1-ethyl-5-propan-2-ylpyrazol-3-yl)-N-methylpropan-2-amine
CID 105463537
1-[1,5-di(propan-2-yl)pyrazol-4-yl]-N-methylpropan-2-amine
CID 105481338
5-(3-chlorocyclohexyl)-1-ethyl-4-methoxypyrazole
CID 114665227
4-[(cyclobutylamino)methyl]-1-ethylpyrazol-5-amine
CID 117216682
1-(5-cyclobutyl-1-ethylpyrazol-3-yl)propan-2-amine
CID 105461054

Frequently Asked Questions

What is the IUPAC name of 1-(5-cyclobutyl-1-ethylpyrazol-4-yl)-N-methylpropan-2-amine?
The IUPAC name of 1-(5-cyclobutyl-1-ethylpyrazol-4-yl)-N-methylpropan-2-amine (CID 105478354) is 1-(5-cyclobutyl-1-ethylpyrazol-4-yl)-N-methylpropan-2-amine.
What is the SMILES notation for 1-(5-cyclobutyl-1-ethylpyrazol-4-yl)-N-methylpropan-2-amine?
The canonical SMILES for 1-(5-cyclobutyl-1-ethylpyrazol-4-yl)-N-methylpropan-2-amine is CCn1ncc(CC(C)NC)c1C1CCC1.
What is the InChIKey of 1-(5-cyclobutyl-1-ethylpyrazol-4-yl)-N-methylpropan-2-amine?
The InChIKey is ZMTSVYBLACENNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-4-16-13(11-6-5-7-11)12(9-15-16)8-10(2)14-3/h9-11,14H,4-8H2,1-3H3.
What are the key properties of 1-(5-cyclobutyl-1-ethylpyrazol-4-yl)-N-methylpropan-2-amine?
1-(5-cyclobutyl-1-ethylpyrazol-4-yl)-N-methylpropan-2-amine has a molecular weight of 221.35 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyclobutyl-1-ethylpyrazol-4-yl)-N-methylpropan-2-amine is sourced from PubChem (CID 105478354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).