N,1-dimethyl-N-(2-methyl-3H-benzimidazol-5-yl)-3-phenylpyrazole-5-carboxamide

C20H19N5O — CID 166339220

IUPACN,1-dimethyl-N-(2-methyl-3H-benzimidazol-5-yl)-3-phenylpyrazole-5-carboxamide
SMILESCc1nc2ccc(N(C)C(=O)c3cc(-c4ccccc4)nn3C)cc2[nH]1
InChIInChI=1S/C20H19N5O/c1-13-21-16-10-9-15(11-18(16)22-13)24(2)20(26)19-12-17(23-25(19)3)14-7-5-4-6-8-14/h4-12H,1-3H3,(H,21,22)
InChIKeyCWAGPUWUSRGWPM-UHFFFAOYSA-N
MW345.41 g/mol
LogP3.55
Rot. Bonds3

About N,1-dimethyl-N-(2-methyl-3H-benzimidazol-5-yl)-3-phenylpyrazole-5-carboxamide

N,1-dimethyl-N-(2-methyl-3H-benzimidazol-5-yl)-3-phenylpyrazole-5-carboxamide (PubChem CID 166339220) has the molecular formula C20H19N5O and a molecular weight of 345.41 g/mol. Its IUPAC name is N,1-dimethyl-N-(2-methyl-3H-benzimidazol-5-yl)-3-phenylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN,1-dimethyl-N-(2-methyl-3H-benzimidazol-5-yl)-3-phenylpyrazole-5-carboxamide
PubChem CID166339220
Molecular FormulaC20H19N5O
Molecular Weight345.41 g/mol
Exact Mass345.16
IUPAC NameN,1-dimethyl-N-(2-methyl-3H-benzimidazol-5-yl)-3-phenylpyrazole-5-carboxamide
SMILESCc1nc2ccc(N(C)C(=O)c3cc(-c4ccccc4)nn3C)cc2[nH]1
InChIInChI=1S/C20H19N5O/c1-13-21-16-10-9-15(11-18(16)22-13)24(2)20(26)19-12-17(23-25(19)3)14-7-5-4-6-8-14/h4-12H,1-3H3,(H,21,22)
InChIKeyCWAGPUWUSRGWPM-UHFFFAOYSA-N
XLogP3.55
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-N-(2-methyl-3H-benzimidazol-5-yl)-3-phenylpyrazole-5-carboxamide?
The IUPAC name of N,1-dimethyl-N-(2-methyl-3H-benzimidazol-5-yl)-3-phenylpyrazole-5-carboxamide (CID 166339220) is N,1-dimethyl-N-(2-methyl-3H-benzimidazol-5-yl)-3-phenylpyrazole-5-carboxamide.
What is the SMILES notation for N,1-dimethyl-N-(2-methyl-3H-benzimidazol-5-yl)-3-phenylpyrazole-5-carboxamide?
The canonical SMILES for N,1-dimethyl-N-(2-methyl-3H-benzimidazol-5-yl)-3-phenylpyrazole-5-carboxamide is Cc1nc2ccc(N(C)C(=O)c3cc(-c4ccccc4)nn3C)cc2[nH]1.
What is the InChIKey of N,1-dimethyl-N-(2-methyl-3H-benzimidazol-5-yl)-3-phenylpyrazole-5-carboxamide?
The InChIKey is CWAGPUWUSRGWPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O/c1-13-21-16-10-9-15(11-18(16)22-13)24(2)20(26)19-12-17(23-25(19)3)14-7-5-4-6-8-14/h4-12H,1-3H3,(H,21,22).
What are the key properties of N,1-dimethyl-N-(2-methyl-3H-benzimidazol-5-yl)-3-phenylpyrazole-5-carboxamide?
N,1-dimethyl-N-(2-methyl-3H-benzimidazol-5-yl)-3-phenylpyrazole-5-carboxamide has a molecular weight of 345.41 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-N-(2-methyl-3H-benzimidazol-5-yl)-3-phenylpyrazole-5-carboxamide is sourced from PubChem (CID 166339220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).