4-(5-chloro-2-methoxyphenyl)-5-(oxan-3-yl)-1H-pyrazol-3-amine

C15H18ClN3O2 — CID 63013480

IUPAC4-(5-chloro-2-methoxyphenyl)-5-(oxan-3-yl)-1H-pyrazol-3-amine
SMILESCOc1ccc(Cl)cc1-c1c(N)n[nH]c1C1CCCOC1
InChIInChI=1S/C15H18ClN3O2/c1-20-12-5-4-10(16)7-11(12)13-14(18-19-15(13)17)9-3-2-6-21-8-9/h4-5,7,9H,2-3,6,8H2,1H3,(H3,17,18,19)
InChIKeyQQEKZZNGWSZVMU-UHFFFAOYSA-N
MW307.78 g/mol
LogP3.21
Rot. Bonds3

About 4-(5-chloro-2-methoxyphenyl)-5-(oxan-3-yl)-1H-pyrazol-3-amine

4-(5-chloro-2-methoxyphenyl)-5-(oxan-3-yl)-1H-pyrazol-3-amine (PubChem CID 63013480) has the molecular formula C15H18ClN3O2 and a molecular weight of 307.78 g/mol. Its IUPAC name is 4-(5-chloro-2-methoxyphenyl)-5-(oxan-3-yl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-(5-chloro-2-methoxyphenyl)-5-(oxan-3-yl)-1H-pyrazol-3-amine
PubChem CID63013480
Molecular FormulaC15H18ClN3O2
Molecular Weight307.78 g/mol
Exact Mass307.11
IUPAC Name4-(5-chloro-2-methoxyphenyl)-5-(oxan-3-yl)-1H-pyrazol-3-amine
SMILESCOc1ccc(Cl)cc1-c1c(N)n[nH]c1C1CCCOC1
InChIInChI=1S/C15H18ClN3O2/c1-20-12-5-4-10(16)7-11(12)13-14(18-19-15(13)17)9-3-2-6-21-8-9/h4-5,7,9H,2-3,6,8H2,1H3,(H3,17,18,19)
InChIKeyQQEKZZNGWSZVMU-UHFFFAOYSA-N
XLogP3.21
TPSA73.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-methoxyphenyl)-5-(oxan-3-yl)-1H-pyrazol-3-amine?
The IUPAC name of 4-(5-chloro-2-methoxyphenyl)-5-(oxan-3-yl)-1H-pyrazol-3-amine (CID 63013480) is 4-(5-chloro-2-methoxyphenyl)-5-(oxan-3-yl)-1H-pyrazol-3-amine.
What is the SMILES notation for 4-(5-chloro-2-methoxyphenyl)-5-(oxan-3-yl)-1H-pyrazol-3-amine?
The canonical SMILES for 4-(5-chloro-2-methoxyphenyl)-5-(oxan-3-yl)-1H-pyrazol-3-amine is COc1ccc(Cl)cc1-c1c(N)n[nH]c1C1CCCOC1.
What is the InChIKey of 4-(5-chloro-2-methoxyphenyl)-5-(oxan-3-yl)-1H-pyrazol-3-amine?
The InChIKey is QQEKZZNGWSZVMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2/c1-20-12-5-4-10(16)7-11(12)13-14(18-19-15(13)17)9-3-2-6-21-8-9/h4-5,7,9H,2-3,6,8H2,1H3,(H3,17,18,19).
What are the key properties of 4-(5-chloro-2-methoxyphenyl)-5-(oxan-3-yl)-1H-pyrazol-3-amine?
4-(5-chloro-2-methoxyphenyl)-5-(oxan-3-yl)-1H-pyrazol-3-amine has a molecular weight of 307.78 g/mol, XLogP of 3.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2-methoxyphenyl)-5-(oxan-3-yl)-1H-pyrazol-3-amine is sourced from PubChem (CID 63013480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).