5-anilino-3-(dimethylaminomethylideneamino)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1H-pyrazole-4-carboxamide

C24H26N8O2 — CID 25146881

IUPAC5-anilino-3-(dimethylaminomethylideneamino)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1H-pyrazole-4-carboxamide
SMILESCc1c(NC(=O)c2c(/N=C/N(C)C)n[nH]c2Nc2ccccc2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C24H26N8O2/c1-16-20(24(34)32(31(16)4)18-13-9-6-10-14-18)27-23(33)19-21(25-15-30(2)3)28-29-22(19)26-17-11-7-5-8-12-17/h5-15H,1-4H3,(H,27,33)(H2,26,28,29)/b25-15+
InChIKeyIXQQURTUPZKBCR-MFKUBSTISA-N
MW458.53 g/mol
LogP3.42
Rot. Bonds7

About 5-anilino-3-(dimethylaminomethylideneamino)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1H-pyrazole-4-carboxamide

5-anilino-3-(dimethylaminomethylideneamino)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1H-pyrazole-4-carboxamide (PubChem CID 25146881) has the molecular formula C24H26N8O2 and a molecular weight of 458.53 g/mol. Its IUPAC name is 5-anilino-3-(dimethylaminomethylideneamino)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-anilino-3-(dimethylaminomethylideneamino)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1H-pyrazole-4-carboxamide
PubChem CID25146881
Molecular FormulaC24H26N8O2
Molecular Weight458.53 g/mol
Exact Mass458.22
IUPAC Name5-anilino-3-(dimethylaminomethylideneamino)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1H-pyrazole-4-carboxamide
SMILESCc1c(NC(=O)c2c(/N=C/N(C)C)n[nH]c2Nc2ccccc2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C24H26N8O2/c1-16-20(24(34)32(31(16)4)18-13-9-6-10-14-18)27-23(33)19-21(25-15-30(2)3)28-29-22(19)26-17-11-7-5-8-12-17/h5-15H,1-4H3,(H,27,33)(H2,26,28,29)/b25-15+
InChIKeyIXQQURTUPZKBCR-MFKUBSTISA-N
XLogP3.42
TPSA112.34 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.53
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-anilino-3-(dimethylaminomethylideneamino)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-anilino-3-(dimethylaminomethylideneamino)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1H-pyrazole-4-carboxamide (CID 25146881) is 5-anilino-3-(dimethylaminomethylideneamino)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-anilino-3-(dimethylaminomethylideneamino)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-anilino-3-(dimethylaminomethylideneamino)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1H-pyrazole-4-carboxamide is Cc1c(NC(=O)c2c(/N=C/N(C)C)n[nH]c2Nc2ccccc2)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of 5-anilino-3-(dimethylaminomethylideneamino)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1H-pyrazole-4-carboxamide?
The InChIKey is IXQQURTUPZKBCR-MFKUBSTISA-N. The full InChI is InChI=1S/C24H26N8O2/c1-16-20(24(34)32(31(16)4)18-13-9-6-10-14-18)27-23(33)19-21(25-15-30(2)3)28-29-22(19)26-17-11-7-5-8-12-17/h5-15H,1-4H3,(H,27,33)(H2,26,28,29)/b25-15+.
What are the key properties of 5-anilino-3-(dimethylaminomethylideneamino)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1H-pyrazole-4-carboxamide?
5-anilino-3-(dimethylaminomethylideneamino)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1H-pyrazole-4-carboxamide has a molecular weight of 458.53 g/mol, XLogP of 3.42, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-anilino-3-(dimethylaminomethylideneamino)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 25146881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).