1-methyl-4-[(4-phenylmethoxyphenyl)methylideneamino]-N-propylpyrazole-5-carboxamide

C22H24N4O2 — CID 4862946

IUPAC1-methyl-4-[(4-phenylmethoxyphenyl)methylideneamino]-N-propylpyrazole-5-carboxamide
SMILESCCCNC(=O)c1c(/N=C/c2ccc(OCc3ccccc3)cc2)cnn1C
InChIInChI=1S/C22H24N4O2/c1-3-13-23-22(27)21-20(15-25-26(21)2)24-14-17-9-11-19(12-10-17)28-16-18-7-5-4-6-8-18/h4-12,14-15H,3,13,16H2,1-2H3,(H,23,27)/b24-14+
InChIKeyJNWTVGIBHIRMJJ-ZVHZXABRSA-N
MW376.46 g/mol
LogP3.89
Rot. Bonds8

About 1-methyl-4-[(4-phenylmethoxyphenyl)methylideneamino]-N-propylpyrazole-5-carboxamide

1-methyl-4-[(4-phenylmethoxyphenyl)methylideneamino]-N-propylpyrazole-5-carboxamide (PubChem CID 4862946) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 1-methyl-4-[(4-phenylmethoxyphenyl)methylideneamino]-N-propylpyrazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-4-[(4-phenylmethoxyphenyl)methylideneamino]-N-propylpyrazole-5-carboxamide
PubChem CID4862946
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name1-methyl-4-[(4-phenylmethoxyphenyl)methylideneamino]-N-propylpyrazole-5-carboxamide
SMILESCCCNC(=O)c1c(/N=C/c2ccc(OCc3ccccc3)cc2)cnn1C
InChIInChI=1S/C22H24N4O2/c1-3-13-23-22(27)21-20(15-25-26(21)2)24-14-17-9-11-19(12-10-17)28-16-18-7-5-4-6-8-18/h4-12,14-15H,3,13,16H2,1-2H3,(H,23,27)/b24-14+
InChIKeyJNWTVGIBHIRMJJ-ZVHZXABRSA-N
XLogP3.89
TPSA68.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-phenylmethoxy-N-propylbenzamide
CID 4958389
N-[(4-phenylmethoxyphenyl)methylideneamino]hexadecanamide
CID 3861652
N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]dodecanamide
CID 6302563
2-[(4-phenylmethoxyphenyl)methylideneamino]phenol
CID 561470
4-[[5-[(2-chloro-4-fluorophenoxy)methyl]furan-2-yl]methylideneamino]-1-methyl-N-propylpyrazole-5-carboxamide
CID 4862778
1-methyl-4-[[5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carbonyl]amino]-N-propylpyrazole-5-carboxamide
CID 19396316
5-N-(4-phenylmethoxyphenyl)-3-N-propylpyridine-3,5-dicarboxamide
CID 109101290
4-bromo-N-[[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-1-methylpyrazole-5-carboxamide
CID 71833321
N-[4-[(4-phenylmethoxyphenyl)methylideneamino]phenyl]acetamide
CID 693499
N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-4-propoxybenzamide
CID 92658826
N,N'-bis[(4-phenylmethoxyphenyl)methylideneamino]butanediamide
CID 3730577
propyl 4-[(4-phenylmethoxyphenyl)methylideneamino]benzoate
CID 4504442

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(4-phenylmethoxyphenyl)methylideneamino]-N-propylpyrazole-5-carboxamide?
The IUPAC name of 1-methyl-4-[(4-phenylmethoxyphenyl)methylideneamino]-N-propylpyrazole-5-carboxamide (CID 4862946) is 1-methyl-4-[(4-phenylmethoxyphenyl)methylideneamino]-N-propylpyrazole-5-carboxamide.
What is the SMILES notation for 1-methyl-4-[(4-phenylmethoxyphenyl)methylideneamino]-N-propylpyrazole-5-carboxamide?
The canonical SMILES for 1-methyl-4-[(4-phenylmethoxyphenyl)methylideneamino]-N-propylpyrazole-5-carboxamide is CCCNC(=O)c1c(/N=C/c2ccc(OCc3ccccc3)cc2)cnn1C.
What is the InChIKey of 1-methyl-4-[(4-phenylmethoxyphenyl)methylideneamino]-N-propylpyrazole-5-carboxamide?
The InChIKey is JNWTVGIBHIRMJJ-ZVHZXABRSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-3-13-23-22(27)21-20(15-25-26(21)2)24-14-17-9-11-19(12-10-17)28-16-18-7-5-4-6-8-18/h4-12,14-15H,3,13,16H2,1-2H3,(H,23,27)/b24-14+.
What are the key properties of 1-methyl-4-[(4-phenylmethoxyphenyl)methylideneamino]-N-propylpyrazole-5-carboxamide?
1-methyl-4-[(4-phenylmethoxyphenyl)methylideneamino]-N-propylpyrazole-5-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 3.89, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(4-phenylmethoxyphenyl)methylideneamino]-N-propylpyrazole-5-carboxamide is sourced from PubChem (CID 4862946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).