3-(5-chloro-2-cyclobutyloxyphenyl)-1-methylpyrazol-5-amine

C14H16ClN3O — CID 117445231

IUPAC3-(5-chloro-2-cyclobutyloxyphenyl)-1-methylpyrazol-5-amine
SMILESCn1nc(-c2cc(Cl)ccc2OC2CCC2)cc1N
InChIInChI=1S/C14H16ClN3O/c1-18-14(16)8-12(17-18)11-7-9(15)5-6-13(11)19-10-3-2-4-10/h5-8,10H,2-4,16H2,1H3
InChIKeyGUWHGPRYJQWZKR-UHFFFAOYSA-N
MW277.76 g/mol
LogP3.25
Rot. Bonds3

About 3-(5-chloro-2-cyclobutyloxyphenyl)-1-methylpyrazol-5-amine

3-(5-chloro-2-cyclobutyloxyphenyl)-1-methylpyrazol-5-amine (PubChem CID 117445231) has the molecular formula C14H16ClN3O and a molecular weight of 277.76 g/mol. Its IUPAC name is 3-(5-chloro-2-cyclobutyloxyphenyl)-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name3-(5-chloro-2-cyclobutyloxyphenyl)-1-methylpyrazol-5-amine
PubChem CID117445231
Molecular FormulaC14H16ClN3O
Molecular Weight277.76 g/mol
Exact Mass277.10
IUPAC Name3-(5-chloro-2-cyclobutyloxyphenyl)-1-methylpyrazol-5-amine
SMILESCn1nc(-c2cc(Cl)ccc2OC2CCC2)cc1N
InChIInChI=1S/C14H16ClN3O/c1-18-14(16)8-12(17-18)11-7-9(15)5-6-13(11)19-10-3-2-4-10/h5-8,10H,2-4,16H2,1H3
InChIKeyGUWHGPRYJQWZKR-UHFFFAOYSA-N
XLogP3.25
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.76
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-chloro-2-propan-2-ylphenyl)-1-methylpyrazol-5-amine
CID 117378006
3-(5-chloro-2-cyclobutyloxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 117472623
4-chloro-2-cyclobutyloxy-1-cyclopentyloxybenzene
CID 90887277
5-chloro-2-cyclohexyloxybenzenecarbothioamide
CID 62493544
4-chloro-1-cyclopentyloxy-2-fluorobenzene
CID 130163329
2-(5-amino-1-methylpyrazol-3-yl)-4-chloro-6-fluorophenol
CID 136952320
1-(5-chloro-2-cyclohexyloxyphenyl)ethanamine
CID 62072498
3-[2-(cyclopropylmethoxy)-5-fluorophenyl]-1-methylpyrazol-5-amine
CID 117407229
5-chloro-2-(4-methylcyclohexyl)oxyaniline
CID 43094022
3-(3-chloro-6-methoxy-2-methylphenyl)-1-methylpyrazol-5-amine
CID 117382581
2-[5-amino-3-(2,4-dichlorophenyl)pyrazol-1-yl]cyclopentan-1-ol
CID 62714088
4-chloro-2-(chloromethyl)-1-cyclopentyloxybenzene
CID 43141955

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-cyclobutyloxyphenyl)-1-methylpyrazol-5-amine?
The IUPAC name of 3-(5-chloro-2-cyclobutyloxyphenyl)-1-methylpyrazol-5-amine (CID 117445231) is 3-(5-chloro-2-cyclobutyloxyphenyl)-1-methylpyrazol-5-amine.
What is the SMILES notation for 3-(5-chloro-2-cyclobutyloxyphenyl)-1-methylpyrazol-5-amine?
The canonical SMILES for 3-(5-chloro-2-cyclobutyloxyphenyl)-1-methylpyrazol-5-amine is Cn1nc(-c2cc(Cl)ccc2OC2CCC2)cc1N.
What is the InChIKey of 3-(5-chloro-2-cyclobutyloxyphenyl)-1-methylpyrazol-5-amine?
The InChIKey is GUWHGPRYJQWZKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c1-18-14(16)8-12(17-18)11-7-9(15)5-6-13(11)19-10-3-2-4-10/h5-8,10H,2-4,16H2,1H3.
What are the key properties of 3-(5-chloro-2-cyclobutyloxyphenyl)-1-methylpyrazol-5-amine?
3-(5-chloro-2-cyclobutyloxyphenyl)-1-methylpyrazol-5-amine has a molecular weight of 277.76 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-cyclobutyloxyphenyl)-1-methylpyrazol-5-amine is sourced from PubChem (CID 117445231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).