N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide

C16H21N5O2 — CID 135473324

IUPACN-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide
SMILESCCN(CC)c1ccc(/C=N/NC(=O)c2cc(C)[nH]n2)c(O)c1
InChIInChI=1S/C16H21N5O2/c1-4-21(5-2)13-7-6-12(15(22)9-13)10-17-20-16(23)14-8-11(3)18-19-14/h6-10,22H,4-5H2,1-3H3,(H,18,19)(H,20,23)/b17-10+
InChIKeyGDOZRPJUBBRPNX-LICLKQGHSA-N
MW315.38 g/mol
LogP2.03
Rot. Bonds6

About N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide

N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide (PubChem CID 135473324) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide
PubChem CID135473324
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC NameN-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide
SMILESCCN(CC)c1ccc(/C=N/NC(=O)c2cc(C)[nH]n2)c(O)c1
InChIInChI=1S/C16H21N5O2/c1-4-21(5-2)13-7-6-12(15(22)9-13)10-17-20-16(23)14-8-11(3)18-19-14/h6-10,22H,4-5H2,1-3H3,(H,18,19)(H,20,23)/b17-10+
InChIKeyGDOZRPJUBBRPNX-LICLKQGHSA-N
XLogP2.03
TPSA93.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

N-(3,4-dimethylphenyl)-5-(2-hydroxyphenyl)-1H-pyrazole-3-carboxamide
CID 1855608
4-chloro-N'-[4-(diethylamino)-2-hydroxybenzylidene]-1-methyl-1H-pyrazole-5-carbohydrazide
CID 135401471
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-5-(2-hydroxy-4-methylphenyl)-1H-pyrazole-3-carboxamide
CID 667178
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3-(2-hydroxy-3,5-dimethylphenyl)-1H-pyrazole-5-carboxamide
CID 1854674
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-5-(2-hydroxy-5-methylphenyl)-1H-pyrazole-3-carboxamide
CID 1872993
N'-((1E)-{2-hydroxy-5-[(E)-phenyldiazenyl]phenyl}methylene)-3-methyl-1H-pyrazole-5-carbohydrazide
CID 135497974
3-tert-butyl-N'-[(E)-(2-hydroxyphenyl)methylidene]-1-phenyl-1H-pyrazole-5-carbohydrazide
CID 135497985
N-(2,5-dimethylphenyl)-5-(2-hydroxyphenyl)-1H-pyrazole-3-carboxamide
CID 2034999
N'-(4-Hydroxybenzylidene)-3-isopropyl-1H-pyrazole-5-carbohydrazide
CID 135659464
N'-(2-hydroxybenzylidene)-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 135446731
(E)-N'-(3-allyl-2-hydroxybenzylidene)-3-(tert-butyl)-1H-pyrazole-5-carbohydrazide
CID 135411689
4-chloro-N'-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylidene]-1-methyl-1H-pyrazole-3-carbohydrazide
CID 135804473

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide (CID 135473324) is N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide is CCN(CC)c1ccc(/C=N/NC(=O)c2cc(C)[nH]n2)c(O)c1.
What is the InChIKey of N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide?
The InChIKey is GDOZRPJUBBRPNX-LICLKQGHSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-4-21(5-2)13-7-6-12(15(22)9-13)10-17-20-16(23)14-8-11(3)18-19-14/h6-10,22H,4-5H2,1-3H3,(H,18,19)(H,20,23)/b17-10+.
What are the key properties of N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide?
N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide has a molecular weight of 315.38 g/mol, XLogP of 2.03, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 135473324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).