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

C21H21N7O2 — CID 25146791

IUPAC5-amino-3-anilino-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1H-pyrazole-4-carboxamide
SMILESCc1c(NC(=O)c2c(Nc3ccccc3)n[nH]c2N)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C21H21N7O2/c1-13-17(21(30)28(27(13)2)15-11-7-4-8-12-15)24-20(29)16-18(22)25-26-19(16)23-14-9-5-3-6-10-14/h3-12H,1-2H3,(H,24,29)(H4,22,23,25,26)
InChIKeyUOGPKFSUKQQPMM-UHFFFAOYSA-N
MW403.45 g/mol
LogP2.79
Rot. Bonds5

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

5-amino-3-anilino-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1H-pyrazole-4-carboxamide (PubChem CID 25146791) has the molecular formula C21H21N7O2 and a molecular weight of 403.45 g/mol. Its IUPAC name is 5-amino-3-anilino-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-3-anilino-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1H-pyrazole-4-carboxamide
PubChem CID25146791
Molecular FormulaC21H21N7O2
Molecular Weight403.45 g/mol
Exact Mass403.18
IUPAC Name5-amino-3-anilino-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1H-pyrazole-4-carboxamide
SMILESCc1c(NC(=O)c2c(Nc3ccccc3)n[nH]c2N)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C21H21N7O2/c1-13-17(21(30)28(27(13)2)15-11-7-4-8-12-15)24-20(29)16-18(22)25-26-19(16)23-14-9-5-3-6-10-14/h3-12H,1-2H3,(H,24,29)(H4,22,23,25,26)
InChIKeyUOGPKFSUKQQPMM-UHFFFAOYSA-N
XLogP2.79
TPSA122.76 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.45
LogP ≤ 52.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-anilino-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-amino-3-anilino-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1H-pyrazole-4-carboxamide (CID 25146791) is 5-amino-3-anilino-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-3-anilino-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-3-anilino-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1H-pyrazole-4-carboxamide is Cc1c(NC(=O)c2c(Nc3ccccc3)n[nH]c2N)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of 5-amino-3-anilino-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1H-pyrazole-4-carboxamide?
The InChIKey is UOGPKFSUKQQPMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N7O2/c1-13-17(21(30)28(27(13)2)15-11-7-4-8-12-15)24-20(29)16-18(22)25-26-19(16)23-14-9-5-3-6-10-14/h3-12H,1-2H3,(H,24,29)(H4,22,23,25,26).
What are the key properties of 5-amino-3-anilino-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1H-pyrazole-4-carboxamide?
5-amino-3-anilino-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1H-pyrazole-4-carboxamide has a molecular weight of 403.45 g/mol, XLogP of 2.79, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-anilino-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 25146791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).