2-(5-cyclobutyl-1H-pyrazol-4-yl)-N-methylethanamine

C10H17N3 — CID 105438351

IUPAC2-(5-cyclobutyl-1H-pyrazol-4-yl)-N-methylethanamine
SMILESCNCCc1cn[nH]c1C1CCC1
InChIInChI=1S/C10H17N3/c1-11-6-5-9-7-12-13-10(9)8-3-2-4-8/h7-8,11H,2-6H2,1H3,(H,12,13)
InChIKeyZZRRUHFFRBXKBH-UHFFFAOYSA-N
MW179.27 g/mol
LogP1.44
Rot. Bonds4

About 2-(5-cyclobutyl-1H-pyrazol-4-yl)-N-methylethanamine

2-(5-cyclobutyl-1H-pyrazol-4-yl)-N-methylethanamine (PubChem CID 105438351) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 2-(5-cyclobutyl-1H-pyrazol-4-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(5-cyclobutyl-1H-pyrazol-4-yl)-N-methylethanamine
PubChem CID105438351
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name2-(5-cyclobutyl-1H-pyrazol-4-yl)-N-methylethanamine
SMILESCNCCc1cn[nH]c1C1CCC1
InChIInChI=1S/C10H17N3/c1-11-6-5-9-7-12-13-10(9)8-3-2-4-8/h7-8,11H,2-6H2,1H3,(H,12,13)
InChIKeyZZRRUHFFRBXKBH-UHFFFAOYSA-N
XLogP1.44
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-cyclobutyl-1H-pyrazol-4-yl)-N-methylmethanamine
CID 105432804
N,N'-dimethyl-N'-[(5-spiro[5.5]undecan-3-yl-1H-pyrazol-4-yl)methyl]ethane-1,2-diamine
CID 118685676
N,N'-dimethyl-N'-[(5-spiro[2.5]octan-6-yl-1H-pyrazol-4-yl)methyl]ethane-1,2-diamine
CID 118688387
3-(5-cyclopentyl-1H-pyrazol-4-yl)propanamide
CID 121212041
N,N'-dimethyl-N'-[[5-(1-oxaspiro[4.5]decan-8-yl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine
CID 118685680
4-chloro-5-cyclobutyl-1H-pyrazole
CID 119055024
N-methyl-2-[5-(2-methylpropyl)-1H-pyrazol-4-yl]ethanamine
CID 105439777
N,N'-dimethyl-N'-[[5-(2-oxaspiro[4.5]decan-8-yl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine
CID 118685683
4-[(3R)-3-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]cyclohexyl]-1-(2-methylpropyl)pyrrolidin-2-one
CID 138517306
(2S,5R)-2-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]spiro[5.5]undecan-5-ol
CID 118674247
methyl 3-[5-(oxan-4-yl)-1H-pyrazol-4-yl]propanoate
CID 121212036
N'-[[5-(4-methylcyclohexyl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine
CID 175333762

Frequently Asked Questions

What is the IUPAC name of 2-(5-cyclobutyl-1H-pyrazol-4-yl)-N-methylethanamine?
The IUPAC name of 2-(5-cyclobutyl-1H-pyrazol-4-yl)-N-methylethanamine (CID 105438351) is 2-(5-cyclobutyl-1H-pyrazol-4-yl)-N-methylethanamine.
What is the SMILES notation for 2-(5-cyclobutyl-1H-pyrazol-4-yl)-N-methylethanamine?
The canonical SMILES for 2-(5-cyclobutyl-1H-pyrazol-4-yl)-N-methylethanamine is CNCCc1cn[nH]c1C1CCC1.
What is the InChIKey of 2-(5-cyclobutyl-1H-pyrazol-4-yl)-N-methylethanamine?
The InChIKey is ZZRRUHFFRBXKBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-11-6-5-9-7-12-13-10(9)8-3-2-4-8/h7-8,11H,2-6H2,1H3,(H,12,13).
What are the key properties of 2-(5-cyclobutyl-1H-pyrazol-4-yl)-N-methylethanamine?
2-(5-cyclobutyl-1H-pyrazol-4-yl)-N-methylethanamine has a molecular weight of 179.27 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyclobutyl-1H-pyrazol-4-yl)-N-methylethanamine is sourced from PubChem (CID 105438351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).