2-[(E)-[[6-(3-methyl-5-phenylpyrazol-1-yl)pyrimidin-4-yl]hydrazinylidene]methyl]phenol

C21H18N6O — CID 135498029

IUPAC2-[(E)-[[6-(3-methyl-5-phenylpyrazol-1-yl)pyrimidin-4-yl]hydrazinylidene]methyl]phenol
SMILESCc1cc(-c2ccccc2)n(-c2cc(N/N=C/c3ccccc3O)ncn2)n1
InChIInChI=1S/C21H18N6O/c1-15-11-18(16-7-3-2-4-8-16)27(26-15)21-12-20(22-14-23-21)25-24-13-17-9-5-6-10-19(17)28/h2-14,28H,1H3,(H,22,23,25)/b24-13+
InChIKeyPEPONRUNOJOGCB-ZMOGYAJESA-N
MW370.42 g/mol
LogP3.79
Rot. Bonds5

About 2-[(E)-[[6-(3-methyl-5-phenylpyrazol-1-yl)pyrimidin-4-yl]hydrazinylidene]methyl]phenol

2-[(E)-[[6-(3-methyl-5-phenylpyrazol-1-yl)pyrimidin-4-yl]hydrazinylidene]methyl]phenol (PubChem CID 135498029) has the molecular formula C21H18N6O and a molecular weight of 370.42 g/mol. Its IUPAC name is 2-[(E)-[[6-(3-methyl-5-phenylpyrazol-1-yl)pyrimidin-4-yl]hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name2-[(E)-[[6-(3-methyl-5-phenylpyrazol-1-yl)pyrimidin-4-yl]hydrazinylidene]methyl]phenol
PubChem CID135498029
Molecular FormulaC21H18N6O
Molecular Weight370.42 g/mol
Exact Mass370.15
IUPAC Name2-[(E)-[[6-(3-methyl-5-phenylpyrazol-1-yl)pyrimidin-4-yl]hydrazinylidene]methyl]phenol
SMILESCc1cc(-c2ccccc2)n(-c2cc(N/N=C/c3ccccc3O)ncn2)n1
InChIInChI=1S/C21H18N6O/c1-15-11-18(16-7-3-2-4-8-16)27(26-15)21-12-20(22-14-23-21)25-24-13-17-9-5-6-10-19(17)28/h2-14,28H,1H3,(H,22,23,25)/b24-13+
InChIKeyPEPONRUNOJOGCB-ZMOGYAJESA-N
XLogP3.79
TPSA88.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-(3-methyl-5-phenylpyrazol-1-yl)-N-(pyridin-3-ylmethylideneamino)pyrimidin-4-amine
CID 3133614
N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-6-(3-methyl-5-phenylpyrazol-1-yl)pyrimidin-4-amine
CID 6084975
N-(4-methoxyphenyl)-6-(3-methyl-5-phenylpyrazol-1-yl)pyrimidin-4-amine
CID 3365524
6-(3,5-dimethylpyrazol-1-yl)-N-[(2-nitrophenyl)methylideneamino]pyrimidin-4-amine
CID 3107003
2-[(E)-C-[6-(3-methyl-5-phenylpyrazol-1-yl)pyrimidin-4-yl]carbonohydrazonoyl]phenol
CID 135801864
6-(3,5-dimethylpyrazol-1-yl)-N-[(4-methoxyphenyl)methylideneamino]pyrimidin-4-amine
CID 3106990
4-(3-methyl-5-phenylpyrazol-1-yl)-6-(4-phenylpiperazin-1-yl)pyrimidine
CID 1069507
4-bromo-2-[(Z)-[[6-(4-methylpyrazol-1-yl)pyrimidin-4-yl]hydrazinylidene]methyl]phenol
CID 136831560
2-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenol
CID 135439965
2-methoxy-6-[[[6-(4-methylpyrazol-1-yl)pyrimidin-4-yl]hydrazinylidene]methyl]phenol
CID 3099366
(E)-N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]-3-(2-methylphenyl)prop-2-enamide
CID 122289718
2-methoxy-6-[[(6-morpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol
CID 2842064

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[[6-(3-methyl-5-phenylpyrazol-1-yl)pyrimidin-4-yl]hydrazinylidene]methyl]phenol?
The IUPAC name of 2-[(E)-[[6-(3-methyl-5-phenylpyrazol-1-yl)pyrimidin-4-yl]hydrazinylidene]methyl]phenol (CID 135498029) is 2-[(E)-[[6-(3-methyl-5-phenylpyrazol-1-yl)pyrimidin-4-yl]hydrazinylidene]methyl]phenol.
What is the SMILES notation for 2-[(E)-[[6-(3-methyl-5-phenylpyrazol-1-yl)pyrimidin-4-yl]hydrazinylidene]methyl]phenol?
The canonical SMILES for 2-[(E)-[[6-(3-methyl-5-phenylpyrazol-1-yl)pyrimidin-4-yl]hydrazinylidene]methyl]phenol is Cc1cc(-c2ccccc2)n(-c2cc(N/N=C/c3ccccc3O)ncn2)n1.
What is the InChIKey of 2-[(E)-[[6-(3-methyl-5-phenylpyrazol-1-yl)pyrimidin-4-yl]hydrazinylidene]methyl]phenol?
The InChIKey is PEPONRUNOJOGCB-ZMOGYAJESA-N. The full InChI is InChI=1S/C21H18N6O/c1-15-11-18(16-7-3-2-4-8-16)27(26-15)21-12-20(22-14-23-21)25-24-13-17-9-5-6-10-19(17)28/h2-14,28H,1H3,(H,22,23,25)/b24-13+.
What are the key properties of 2-[(E)-[[6-(3-methyl-5-phenylpyrazol-1-yl)pyrimidin-4-yl]hydrazinylidene]methyl]phenol?
2-[(E)-[[6-(3-methyl-5-phenylpyrazol-1-yl)pyrimidin-4-yl]hydrazinylidene]methyl]phenol has a molecular weight of 370.42 g/mol, XLogP of 3.79, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[[6-(3-methyl-5-phenylpyrazol-1-yl)pyrimidin-4-yl]hydrazinylidene]methyl]phenol is sourced from PubChem (CID 135498029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).