2-(5-chloro-1-cyclobutylpyrazol-4-yl)-N-methylethanamine

C10H16ClN3 — CID 115028565

IUPAC2-(5-chloro-1-cyclobutylpyrazol-4-yl)-N-methylethanamine
SMILESCNCCc1cnn(C2CCC2)c1Cl
InChIInChI=1S/C10H16ClN3/c1-12-6-5-8-7-13-14(10(8)11)9-3-2-4-9/h7,9,12H,2-6H2,1H3
InChIKeyBVXPLUQLKGFURN-UHFFFAOYSA-N
MW213.71 g/mol
LogP2.02
Rot. Bonds4

About 2-(5-chloro-1-cyclobutylpyrazol-4-yl)-N-methylethanamine

2-(5-chloro-1-cyclobutylpyrazol-4-yl)-N-methylethanamine (PubChem CID 115028565) has the molecular formula C10H16ClN3 and a molecular weight of 213.71 g/mol. Its IUPAC name is 2-(5-chloro-1-cyclobutylpyrazol-4-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(5-chloro-1-cyclobutylpyrazol-4-yl)-N-methylethanamine
PubChem CID115028565
Molecular FormulaC10H16ClN3
Molecular Weight213.71 g/mol
Exact Mass213.10
IUPAC Name2-(5-chloro-1-cyclobutylpyrazol-4-yl)-N-methylethanamine
SMILESCNCCc1cnn(C2CCC2)c1Cl
InChIInChI=1S/C10H16ClN3/c1-12-6-5-8-7-13-14(10(8)11)9-3-2-4-9/h7,9,12H,2-6H2,1H3
InChIKeyBVXPLUQLKGFURN-UHFFFAOYSA-N
XLogP2.02
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-chloro-1-cyclopropylpyrazol-4-yl)ethanamine
CID 115017021
3-(5-chloro-1-cyclopropylpyrazol-4-yl)propan-1-amine
CID 115021879
2-(5-chloro-1-ethylpyrazol-4-yl)-N-methylethanamine
CID 84770611
(5-chloro-1-cyclopropylpyrazol-4-yl)methanamine
CID 115013966
2-(5-fluoro-1-piperidin-4-ylpyrazol-4-yl)-N-methylethanamine
CID 115035648
4-(chloromethyl)-1-cyclopentyl-5-ethylpyrazole
CID 66438608
1-(1-cycloheptyl-5-propan-2-ylpyrazol-4-yl)-N-methylmethanamine
CID 66442749
1-(5-chloro-1-cycloheptylpyrazol-4-yl)ethanone
CID 115043989
2-(5-cyclobutyl-1H-pyrazol-4-yl)-N-methylethanamine
CID 105438351
4-(chloromethyl)-1-cyclopentyl-5-(trifluoromethyl)pyrazole
CID 66438386
2-(5-tert-butyl-1-methylpyrazol-4-yl)-N-methylethanamine
CID 83831083
3-(1-cyclobutyl-5-methoxypyrazol-4-yl)propan-1-amine
CID 115068985

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1-cyclobutylpyrazol-4-yl)-N-methylethanamine?
The IUPAC name of 2-(5-chloro-1-cyclobutylpyrazol-4-yl)-N-methylethanamine (CID 115028565) is 2-(5-chloro-1-cyclobutylpyrazol-4-yl)-N-methylethanamine.
What is the SMILES notation for 2-(5-chloro-1-cyclobutylpyrazol-4-yl)-N-methylethanamine?
The canonical SMILES for 2-(5-chloro-1-cyclobutylpyrazol-4-yl)-N-methylethanamine is CNCCc1cnn(C2CCC2)c1Cl.
What is the InChIKey of 2-(5-chloro-1-cyclobutylpyrazol-4-yl)-N-methylethanamine?
The InChIKey is BVXPLUQLKGFURN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3/c1-12-6-5-8-7-13-14(10(8)11)9-3-2-4-9/h7,9,12H,2-6H2,1H3.
What are the key properties of 2-(5-chloro-1-cyclobutylpyrazol-4-yl)-N-methylethanamine?
2-(5-chloro-1-cyclobutylpyrazol-4-yl)-N-methylethanamine has a molecular weight of 213.71 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1-cyclobutylpyrazol-4-yl)-N-methylethanamine is sourced from PubChem (CID 115028565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).