(Z)-3-(5-amino-3-methyl-1-phenylpyrazol-4-yl)-1-(2-hydroxyphenyl)prop-2-en-1-one

C19H17N3O2 — CID 164668890

IUPAC(Z)-3-(5-amino-3-methyl-1-phenylpyrazol-4-yl)-1-(2-hydroxyphenyl)prop-2-en-1-one
SMILESCc1nn(-c2ccccc2)c(N)c1/C=C\C(=O)c1ccccc1O
InChIInChI=1S/C19H17N3O2/c1-13-15(11-12-18(24)16-9-5-6-10-17(16)23)19(20)22(21-13)14-7-3-2-4-8-14/h2-12,23H,20H2,1H3/b12-11-
InChIKeyWIEKDMXZIDALAX-QXMHVHEDSA-N
MW319.36 g/mol
LogP3.36
Rot. Bonds4

About (Z)-3-(5-amino-3-methyl-1-phenylpyrazol-4-yl)-1-(2-hydroxyphenyl)prop-2-en-1-one

(Z)-3-(5-amino-3-methyl-1-phenylpyrazol-4-yl)-1-(2-hydroxyphenyl)prop-2-en-1-one (PubChem CID 164668890) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is (Z)-3-(5-amino-3-methyl-1-phenylpyrazol-4-yl)-1-(2-hydroxyphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(Z)-3-(5-amino-3-methyl-1-phenylpyrazol-4-yl)-1-(2-hydroxyphenyl)prop-2-en-1-one
PubChem CID164668890
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC Name(Z)-3-(5-amino-3-methyl-1-phenylpyrazol-4-yl)-1-(2-hydroxyphenyl)prop-2-en-1-one
SMILESCc1nn(-c2ccccc2)c(N)c1/C=C\C(=O)c1ccccc1O
InChIInChI=1S/C19H17N3O2/c1-13-15(11-12-18(24)16-9-5-6-10-17(16)23)19(20)22(21-13)14-7-3-2-4-8-14/h2-12,23H,20H2,1H3/b12-11-
InChIKeyWIEKDMXZIDALAX-QXMHVHEDSA-N
XLogP3.36
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-(5-amino-3-methyl-1-phenylpyrazol-4-yl)-1-(2-hydroxyphenyl)prop-2-en-1-one?
The IUPAC name of (Z)-3-(5-amino-3-methyl-1-phenylpyrazol-4-yl)-1-(2-hydroxyphenyl)prop-2-en-1-one (CID 164668890) is (Z)-3-(5-amino-3-methyl-1-phenylpyrazol-4-yl)-1-(2-hydroxyphenyl)prop-2-en-1-one.
What is the SMILES notation for (Z)-3-(5-amino-3-methyl-1-phenylpyrazol-4-yl)-1-(2-hydroxyphenyl)prop-2-en-1-one?
The canonical SMILES for (Z)-3-(5-amino-3-methyl-1-phenylpyrazol-4-yl)-1-(2-hydroxyphenyl)prop-2-en-1-one is Cc1nn(-c2ccccc2)c(N)c1/C=C\C(=O)c1ccccc1O.
What is the InChIKey of (Z)-3-(5-amino-3-methyl-1-phenylpyrazol-4-yl)-1-(2-hydroxyphenyl)prop-2-en-1-one?
The InChIKey is WIEKDMXZIDALAX-QXMHVHEDSA-N. The full InChI is InChI=1S/C19H17N3O2/c1-13-15(11-12-18(24)16-9-5-6-10-17(16)23)19(20)22(21-13)14-7-3-2-4-8-14/h2-12,23H,20H2,1H3/b12-11-.
What are the key properties of (Z)-3-(5-amino-3-methyl-1-phenylpyrazol-4-yl)-1-(2-hydroxyphenyl)prop-2-en-1-one?
(Z)-3-(5-amino-3-methyl-1-phenylpyrazol-4-yl)-1-(2-hydroxyphenyl)prop-2-en-1-one has a molecular weight of 319.36 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(5-amino-3-methyl-1-phenylpyrazol-4-yl)-1-(2-hydroxyphenyl)prop-2-en-1-one is sourced from PubChem (CID 164668890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).