3-(4-ethoxyphenyl)-4-methyl-N-(pyridin-4-ylmethylideneamino)-1H-pyrazole-5-carboxamide

C19H19N5O2 — CID 950350

IUPAC3-(4-ethoxyphenyl)-4-methyl-N-(pyridin-4-ylmethylideneamino)-1H-pyrazole-5-carboxamide
SMILESCCOc1ccc(-c2n[nH]c(C(=O)NN=Cc3ccncc3)c2C)cc1
InChIInChI=1S/C19H19N5O2/c1-3-26-16-6-4-15(5-7-16)17-13(2)18(23-22-17)19(25)24-21-12-14-8-10-20-11-9-14/h4-12H,3H2,1-2H3,(H,22,23)(H,24,25)
InChIKeyMXVABZJRNXUOEQ-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.94
Rot. Bonds6

About 3-(4-ethoxyphenyl)-4-methyl-N-(pyridin-4-ylmethylideneamino)-1H-pyrazole-5-carboxamide

3-(4-ethoxyphenyl)-4-methyl-N-(pyridin-4-ylmethylideneamino)-1H-pyrazole-5-carboxamide (PubChem CID 950350) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is 3-(4-ethoxyphenyl)-4-methyl-N-(pyridin-4-ylmethylideneamino)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-ethoxyphenyl)-4-methyl-N-(pyridin-4-ylmethylideneamino)-1H-pyrazole-5-carboxamide
PubChem CID950350
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC Name3-(4-ethoxyphenyl)-4-methyl-N-(pyridin-4-ylmethylideneamino)-1H-pyrazole-5-carboxamide
SMILESCCOc1ccc(-c2n[nH]c(C(=O)NN=Cc3ccncc3)c2C)cc1
InChIInChI=1S/C19H19N5O2/c1-3-26-16-6-4-15(5-7-16)17-13(2)18(23-22-17)19(25)24-21-12-14-8-10-20-11-9-14/h4-12H,3H2,1-2H3,(H,22,23)(H,24,25)
InChIKeyMXVABZJRNXUOEQ-UHFFFAOYSA-N
XLogP2.94
TPSA92.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(4-ethoxyphenyl)-4-methyl-N-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 6864672
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-3-(4-ethoxyphenyl)-4-methyl-1H-pyrazole-5-carboxamide
CID 6888557
3-(4-ethoxyphenyl)-4-methyl-N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]-1H-pyrazole-5-carboxamide
CID 6869967
N-[(E)-(4-hydroxyphenyl)methylideneamino]-4-methyl-3-phenyl-1H-pyrazole-5-carboxamide
CID 135704390
N-[(Z)-(4-fluorophenyl)methylideneamino]-4-methyl-3-phenyl-1H-pyrazole-5-carboxamide
CID 6000038
3-(4-ethoxyphenyl)-N-[(4-methylphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 5076714
4-methyl-3-phenyl-N-(pyridin-3-ylmethylideneamino)-1H-pyrazole-5-carboxamide
CID 3491644
N-[(E)-(4-chlorophenyl)methylideneamino]-4-methyl-3-phenyl-1H-pyrazole-5-carboxamide
CID 6888323
N-[(4-chlorophenyl)methylideneamino]-4-methyl-3-phenyl-1H-pyrazole-5-carboxamide
CID 761031
3-(4-methoxyphenyl)-4-methyl-N-[(Z)-thiophen-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide
CID 5410247
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-3-(4-methoxyphenyl)-4-methyl-1H-pyrazole-5-carboxamide
CID 135679597
N-[(4-ethoxyphenyl)methylideneamino]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 1128451

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxyphenyl)-4-methyl-N-(pyridin-4-ylmethylideneamino)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(4-ethoxyphenyl)-4-methyl-N-(pyridin-4-ylmethylideneamino)-1H-pyrazole-5-carboxamide (CID 950350) is 3-(4-ethoxyphenyl)-4-methyl-N-(pyridin-4-ylmethylideneamino)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-ethoxyphenyl)-4-methyl-N-(pyridin-4-ylmethylideneamino)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(4-ethoxyphenyl)-4-methyl-N-(pyridin-4-ylmethylideneamino)-1H-pyrazole-5-carboxamide is CCOc1ccc(-c2n[nH]c(C(=O)NN=Cc3ccncc3)c2C)cc1.
What is the InChIKey of 3-(4-ethoxyphenyl)-4-methyl-N-(pyridin-4-ylmethylideneamino)-1H-pyrazole-5-carboxamide?
The InChIKey is MXVABZJRNXUOEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2/c1-3-26-16-6-4-15(5-7-16)17-13(2)18(23-22-17)19(25)24-21-12-14-8-10-20-11-9-14/h4-12H,3H2,1-2H3,(H,22,23)(H,24,25).
What are the key properties of 3-(4-ethoxyphenyl)-4-methyl-N-(pyridin-4-ylmethylideneamino)-1H-pyrazole-5-carboxamide?
3-(4-ethoxyphenyl)-4-methyl-N-(pyridin-4-ylmethylideneamino)-1H-pyrazole-5-carboxamide has a molecular weight of 349.39 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxyphenyl)-4-methyl-N-(pyridin-4-ylmethylideneamino)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 950350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).