4-(2-chloro-5-cyclobutyloxy-4-methoxyphenyl)-1-methylpyrazol-5-amine

C15H18ClN3O2 — CID 117492733

IUPAC4-(2-chloro-5-cyclobutyloxy-4-methoxyphenyl)-1-methylpyrazol-5-amine
SMILESCOc1cc(Cl)c(-c2cnn(C)c2N)cc1OC1CCC1
InChIInChI=1S/C15H18ClN3O2/c1-19-15(17)11(8-18-19)10-6-14(21-9-4-3-5-9)13(20-2)7-12(10)16/h6-9H,3-5,17H2,1-2H3
InChIKeyBAVNDHSORBDPIX-UHFFFAOYSA-N
MW307.78 g/mol
LogP3.26
Rot. Bonds4

About 4-(2-chloro-5-cyclobutyloxy-4-methoxyphenyl)-1-methylpyrazol-5-amine

4-(2-chloro-5-cyclobutyloxy-4-methoxyphenyl)-1-methylpyrazol-5-amine (PubChem CID 117492733) has the molecular formula C15H18ClN3O2 and a molecular weight of 307.78 g/mol. Its IUPAC name is 4-(2-chloro-5-cyclobutyloxy-4-methoxyphenyl)-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name4-(2-chloro-5-cyclobutyloxy-4-methoxyphenyl)-1-methylpyrazol-5-amine
PubChem CID117492733
Molecular FormulaC15H18ClN3O2
Molecular Weight307.78 g/mol
Exact Mass307.11
IUPAC Name4-(2-chloro-5-cyclobutyloxy-4-methoxyphenyl)-1-methylpyrazol-5-amine
SMILESCOc1cc(Cl)c(-c2cnn(C)c2N)cc1OC1CCC1
InChIInChI=1S/C15H18ClN3O2/c1-19-15(17)11(8-18-19)10-6-14(21-9-4-3-5-9)13(20-2)7-12(10)16/h6-9H,3-5,17H2,1-2H3
InChIKeyBAVNDHSORBDPIX-UHFFFAOYSA-N
XLogP3.26
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-chloro-2,5-dimethoxyphenyl)-1-methylpyrazol-5-amine
CID 117422678
4-(3-chloro-2,5-dimethoxy-4-methylphenyl)-1-methylpyrazol-5-amine
CID 117452245
4-(5-cyclopentyl-2-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117431595
4-(2-methoxy-5-pyrrolidin-1-ylphenyl)-1-methylpyrazol-5-amine
CID 117433956
4-[2-methoxy-3-(oxan-4-yloxy)phenyl]-1-methylpyrazol-5-amine
CID 117488438
4-(2,4-difluoro-3,5-dimethoxyphenyl)-1-methylpyrazol-5-amine
CID 117426009
4-(6-chloro-1,3-benzodioxol-5-yl)-1-methylpyrazol-5-amine
CID 117382481
4-(3-cyclopentyloxyphenyl)-1-methylpyrazol-5-amine
CID 117397015
4-(3-chloro-2,5-dimethoxyphenyl)-1-methylpyrazol-5-amine
CID 117422690
4-(3-chloro-5-fluoro-2-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117392093
4-(3-cyclohexyl-4-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117459944
4-(2-chloro-4,5-dimethoxyphenyl)-1,2-oxazol-5-amine
CID 117389663

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-5-cyclobutyloxy-4-methoxyphenyl)-1-methylpyrazol-5-amine?
The IUPAC name of 4-(2-chloro-5-cyclobutyloxy-4-methoxyphenyl)-1-methylpyrazol-5-amine (CID 117492733) is 4-(2-chloro-5-cyclobutyloxy-4-methoxyphenyl)-1-methylpyrazol-5-amine.
What is the SMILES notation for 4-(2-chloro-5-cyclobutyloxy-4-methoxyphenyl)-1-methylpyrazol-5-amine?
The canonical SMILES for 4-(2-chloro-5-cyclobutyloxy-4-methoxyphenyl)-1-methylpyrazol-5-amine is COc1cc(Cl)c(-c2cnn(C)c2N)cc1OC1CCC1.
What is the InChIKey of 4-(2-chloro-5-cyclobutyloxy-4-methoxyphenyl)-1-methylpyrazol-5-amine?
The InChIKey is BAVNDHSORBDPIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2/c1-19-15(17)11(8-18-19)10-6-14(21-9-4-3-5-9)13(20-2)7-12(10)16/h6-9H,3-5,17H2,1-2H3.
What are the key properties of 4-(2-chloro-5-cyclobutyloxy-4-methoxyphenyl)-1-methylpyrazol-5-amine?
4-(2-chloro-5-cyclobutyloxy-4-methoxyphenyl)-1-methylpyrazol-5-amine has a molecular weight of 307.78 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-5-cyclobutyloxy-4-methoxyphenyl)-1-methylpyrazol-5-amine is sourced from PubChem (CID 117492733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).