2-[4-[3-chloro-1-(4-methoxyphenyl)pyrazol-5-yl]phenoxy]ethanamine

C18H18ClN3O2 — CID 21090779

IUPAC2-[4-[3-chloro-1-(4-methoxyphenyl)pyrazol-5-yl]phenoxy]ethanamine
SMILESCOc1ccc(-n2nc(Cl)cc2-c2ccc(OCCN)cc2)cc1
InChIInChI=1S/C18H18ClN3O2/c1-23-15-8-4-14(5-9-15)22-17(12-18(19)21-22)13-2-6-16(7-3-13)24-11-10-20/h2-9,12H,10-11,20H2,1H3
InChIKeyKTEGFTWHIVFTBK-UHFFFAOYSA-N
MW343.81 g/mol
LogP3.54
Rot. Bonds6

About 2-[4-[3-chloro-1-(4-methoxyphenyl)pyrazol-5-yl]phenoxy]ethanamine

2-[4-[3-chloro-1-(4-methoxyphenyl)pyrazol-5-yl]phenoxy]ethanamine (PubChem CID 21090779) has the molecular formula C18H18ClN3O2 and a molecular weight of 343.81 g/mol. Its IUPAC name is 2-[4-[3-chloro-1-(4-methoxyphenyl)pyrazol-5-yl]phenoxy]ethanamine.

Molecular Properties

Compound Name2-[4-[3-chloro-1-(4-methoxyphenyl)pyrazol-5-yl]phenoxy]ethanamine
PubChem CID21090779
Molecular FormulaC18H18ClN3O2
Molecular Weight343.81 g/mol
Exact Mass343.11
IUPAC Name2-[4-[3-chloro-1-(4-methoxyphenyl)pyrazol-5-yl]phenoxy]ethanamine
SMILESCOc1ccc(-n2nc(Cl)cc2-c2ccc(OCCN)cc2)cc1
InChIInChI=1S/C18H18ClN3O2/c1-23-15-8-4-14(5-9-15)22-17(12-18(19)21-22)13-2-6-16(7-3-13)24-11-10-20/h2-9,12H,10-11,20H2,1H3
InChIKeyKTEGFTWHIVFTBK-UHFFFAOYSA-N
XLogP3.54
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.81
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(4-chlorophenyl)-5-(4-methoxyphenyl)pyrazol-3-yl]methanamine
CID 82071935
[5-[4-(2-aminoethoxy)phenyl]-1-(4-methoxyphenyl)pyrazol-3-yl]-cyclopropylmethanone
CID 58806793
[1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl]methanamine
CID 82072095
5-[4-(2-hydroxyethoxy)phenyl]-1-(4-methoxyphenyl)pyrazole-3-carbonitrile
CID 58806840
2-[4-[3-chloro-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]phenoxy]ethylurea
CID 21091069
1-(4-chlorophenyl)-5-(4-methoxyphenyl)pyrazole-3-carbonitrile
CID 94962094
5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazole-3-carbaldehyde
CID 54077138
2-[4-[5-(2-ethoxyethoxy)-2-(4-methoxyphenyl)-1,2,4-triazol-3-yl]phenoxy]ethanamine
CID 142920114
2-[4-[3-(2,2-difluoroethoxy)-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]phenoxy]ethanamine;dihydrochloride
CID 21090765
2-[4-[1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenoxy]-N-methylethanamine;hydrochloride
CID 158524383
1-[3-[4-[1,3-bis(4-methoxyphenyl)pyrazol-5-yl]phenoxy]propyl]piperidine
CID 138740460
[4-[1-(4-methoxyphenyl)-3-propan-2-ylpyrazol-5-yl]phenyl]methanamine;hydrochloride
CID 21090936

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-chloro-1-(4-methoxyphenyl)pyrazol-5-yl]phenoxy]ethanamine?
The IUPAC name of 2-[4-[3-chloro-1-(4-methoxyphenyl)pyrazol-5-yl]phenoxy]ethanamine (CID 21090779) is 2-[4-[3-chloro-1-(4-methoxyphenyl)pyrazol-5-yl]phenoxy]ethanamine.
What is the SMILES notation for 2-[4-[3-chloro-1-(4-methoxyphenyl)pyrazol-5-yl]phenoxy]ethanamine?
The canonical SMILES for 2-[4-[3-chloro-1-(4-methoxyphenyl)pyrazol-5-yl]phenoxy]ethanamine is COc1ccc(-n2nc(Cl)cc2-c2ccc(OCCN)cc2)cc1.
What is the InChIKey of 2-[4-[3-chloro-1-(4-methoxyphenyl)pyrazol-5-yl]phenoxy]ethanamine?
The InChIKey is KTEGFTWHIVFTBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O2/c1-23-15-8-4-14(5-9-15)22-17(12-18(19)21-22)13-2-6-16(7-3-13)24-11-10-20/h2-9,12H,10-11,20H2,1H3.
What are the key properties of 2-[4-[3-chloro-1-(4-methoxyphenyl)pyrazol-5-yl]phenoxy]ethanamine?
2-[4-[3-chloro-1-(4-methoxyphenyl)pyrazol-5-yl]phenoxy]ethanamine has a molecular weight of 343.81 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-chloro-1-(4-methoxyphenyl)pyrazol-5-yl]phenoxy]ethanamine is sourced from PubChem (CID 21090779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).