(Z)-3-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)-4-hydroxypent-3-en-2-one

C15H17N3O2 — CID 102202777

IUPAC(Z)-3-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)-4-hydroxypent-3-en-2-one
SMILESCC(=O)/C(=C(/C)O)c1c(C)nn(-c2ccccn2)c1C
InChIInChI=1S/C15H17N3O2/c1-9-14(15(11(3)19)12(4)20)10(2)18(17-9)13-7-5-6-8-16-13/h5-8,19H,1-4H3/b15-11+
InChIKeySZQDPMPAZITZQY-RVDMUPIBSA-N
MW271.32 g/mol
LogP2.76
Rot. Bonds3

About (Z)-3-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)-4-hydroxypent-3-en-2-one

(Z)-3-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)-4-hydroxypent-3-en-2-one (PubChem CID 102202777) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is (Z)-3-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)-4-hydroxypent-3-en-2-one.

Molecular Properties

Compound Name(Z)-3-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)-4-hydroxypent-3-en-2-one
PubChem CID102202777
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name(Z)-3-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)-4-hydroxypent-3-en-2-one
SMILESCC(=O)/C(=C(/C)O)c1c(C)nn(-c2ccccn2)c1C
InChIInChI=1S/C15H17N3O2/c1-9-14(15(11(3)19)12(4)20)10(2)18(17-9)13-7-5-6-8-16-13/h5-8,19H,1-4H3/b15-11+
InChIKeySZQDPMPAZITZQY-RVDMUPIBSA-N
XLogP2.76
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

triphenylstannyl 3,5-dimethyl-1-pyridin-2-ylpyrazole-4-carboxylate
CID 141206427
5-amino-3-methyl-1-pyridin-2-ylpyrazole-4-carboxylic acid
CID 135371375
3,5-dimethyl-1-pyridin-2-ylpyrazole-4-thiol
CID 97179619
1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethane-1,2-dione
CID 51260305
5-(4-ethoxyphenyl)-3-methyl-1-pyridin-2-ylpyrazole-4-carboxylic acid
CID 82072302
N-[2-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]-3-phenylpropanamide
CID 91629292
N-[4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)cyclopent-2-en-1-yl]acetamide
CID 74734861
[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 60593051
1-[4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazin-1-yl]-2-phenoxyethanone
CID 90507824
2-(3,5-dimethylpyrazol-1-yl)pyridine
CID 676764
5-chloro-3-cyclopropyl-1-pyridin-2-ylpyrazole-4-carboxylic acid
CID 55189272
1-(5-propan-2-yl-1-pyridin-2-ylpyrazol-3-yl)ethanone
CID 170580254

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)-4-hydroxypent-3-en-2-one?
The IUPAC name of (Z)-3-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)-4-hydroxypent-3-en-2-one (CID 102202777) is (Z)-3-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)-4-hydroxypent-3-en-2-one.
What is the SMILES notation for (Z)-3-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)-4-hydroxypent-3-en-2-one?
The canonical SMILES for (Z)-3-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)-4-hydroxypent-3-en-2-one is CC(=O)/C(=C(/C)O)c1c(C)nn(-c2ccccn2)c1C.
What is the InChIKey of (Z)-3-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)-4-hydroxypent-3-en-2-one?
The InChIKey is SZQDPMPAZITZQY-RVDMUPIBSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-9-14(15(11(3)19)12(4)20)10(2)18(17-9)13-7-5-6-8-16-13/h5-8,19H,1-4H3/b15-11+.
What are the key properties of (Z)-3-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)-4-hydroxypent-3-en-2-one?
(Z)-3-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)-4-hydroxypent-3-en-2-one has a molecular weight of 271.32 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)-4-hydroxypent-3-en-2-one is sourced from PubChem (CID 102202777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).