5-[4-(2-hydroxyethoxy)phenyl]-1-(4-methoxyphenyl)pyrazole-3-carbonitrile

C19H17N3O3 — CID 58806840

IUPAC5-[4-(2-hydroxyethoxy)phenyl]-1-(4-methoxyphenyl)pyrazole-3-carbonitrile
SMILESCOc1ccc(-n2nc(C#N)cc2-c2ccc(OCCO)cc2)cc1
InChIInChI=1S/C19H17N3O3/c1-24-17-8-4-16(5-9-17)22-19(12-15(13-20)21-22)14-2-6-18(7-3-14)25-11-10-23/h2-9,12,23H,10-11H2,1H3
InChIKeyKLAXGZKANNCELC-UHFFFAOYSA-N
MW335.36 g/mol
LogP2.79
Rot. Bonds6

About 5-[4-(2-hydroxyethoxy)phenyl]-1-(4-methoxyphenyl)pyrazole-3-carbonitrile

5-[4-(2-hydroxyethoxy)phenyl]-1-(4-methoxyphenyl)pyrazole-3-carbonitrile (PubChem CID 58806840) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is 5-[4-(2-hydroxyethoxy)phenyl]-1-(4-methoxyphenyl)pyrazole-3-carbonitrile.

Molecular Properties

Compound Name5-[4-(2-hydroxyethoxy)phenyl]-1-(4-methoxyphenyl)pyrazole-3-carbonitrile
PubChem CID58806840
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC Name5-[4-(2-hydroxyethoxy)phenyl]-1-(4-methoxyphenyl)pyrazole-3-carbonitrile
SMILESCOc1ccc(-n2nc(C#N)cc2-c2ccc(OCCO)cc2)cc1
InChIInChI=1S/C19H17N3O3/c1-24-17-8-4-16(5-9-17)22-19(12-15(13-20)21-22)14-2-6-18(7-3-14)25-11-10-23/h2-9,12,23H,10-11H2,1H3
InChIKeyKLAXGZKANNCELC-UHFFFAOYSA-N
XLogP2.79
TPSA80.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-chlorophenyl)-5-(4-methoxyphenyl)pyrazole-3-carbonitrile
CID 94962094
N-[4-[3-cyano-5-(4-methoxyphenyl)pyrazol-1-yl]phenyl]formamide
CID 19886103
2-[4-[3-chloro-1-(4-methoxyphenyl)pyrazol-5-yl]phenoxy]ethanamine
CID 21090779
1,5-bis(4-chlorophenyl)pyrazole-3-carbonitrile
CID 94962068
4-[1-(4-methoxyphenyl)-3-propan-2-yloxypyrazol-5-yl]benzonitrile
CID 21090930
2-[4-[3-methoxy-1-(4-methoxyphenyl)pyrazol-5-yl]phenoxy]acetic acid
CID 58806820
1-(4-methylphenyl)-5-(4-propylphenyl)pyrazole-3-carbonitrile
CID 82220313
2-[4-[3-(difluoromethyl)-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]phenoxy]ethanol
CID 58806821
2-[4-[1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenoxy]-N-methylacetamide
CID 58806574
2-[4-[1-(6-methoxy-3-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]phenoxy]ethanol;hydrochloride
CID 159291199
N-[4-[1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl]but-3-yn-2-yl]hydroxylamine
CID 15461756
2-[4-[1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenoxy]-N-methylethanamine;hydrochloride
CID 158524383

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-hydroxyethoxy)phenyl]-1-(4-methoxyphenyl)pyrazole-3-carbonitrile?
The IUPAC name of 5-[4-(2-hydroxyethoxy)phenyl]-1-(4-methoxyphenyl)pyrazole-3-carbonitrile (CID 58806840) is 5-[4-(2-hydroxyethoxy)phenyl]-1-(4-methoxyphenyl)pyrazole-3-carbonitrile.
What is the SMILES notation for 5-[4-(2-hydroxyethoxy)phenyl]-1-(4-methoxyphenyl)pyrazole-3-carbonitrile?
The canonical SMILES for 5-[4-(2-hydroxyethoxy)phenyl]-1-(4-methoxyphenyl)pyrazole-3-carbonitrile is COc1ccc(-n2nc(C#N)cc2-c2ccc(OCCO)cc2)cc1.
What is the InChIKey of 5-[4-(2-hydroxyethoxy)phenyl]-1-(4-methoxyphenyl)pyrazole-3-carbonitrile?
The InChIKey is KLAXGZKANNCELC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3/c1-24-17-8-4-16(5-9-17)22-19(12-15(13-20)21-22)14-2-6-18(7-3-14)25-11-10-23/h2-9,12,23H,10-11H2,1H3.
What are the key properties of 5-[4-(2-hydroxyethoxy)phenyl]-1-(4-methoxyphenyl)pyrazole-3-carbonitrile?
5-[4-(2-hydroxyethoxy)phenyl]-1-(4-methoxyphenyl)pyrazole-3-carbonitrile has a molecular weight of 335.36 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-hydroxyethoxy)phenyl]-1-(4-methoxyphenyl)pyrazole-3-carbonitrile is sourced from PubChem (CID 58806840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).