2-[(4-amino-1-ethyl-3-methylpyrazole-5-carbonyl)amino]-3H-benzimidazole-5-carboxamide

C15H17N7O2 — CID 176944539

IUPAC2-[(4-amino-1-ethyl-3-methylpyrazole-5-carbonyl)amino]-3H-benzimidazole-5-carboxamide
SMILESCCn1nc(C)c(N)c1C(=O)Nc1nc2ccc(C(N)=O)cc2[nH]1
InChIInChI=1S/C15H17N7O2/c1-3-22-12(11(16)7(2)21-22)14(24)20-15-18-9-5-4-8(13(17)23)6-10(9)19-15/h4-6H,3,16H2,1-2H3,(H2,17,23)(H2,18,19,20,24)
InChIKeyKWOUBUPWLGDFDL-UHFFFAOYSA-N
MW327.35 g/mol
LogP1.02
Rot. Bonds4

About 2-[(4-amino-1-ethyl-3-methylpyrazole-5-carbonyl)amino]-3H-benzimidazole-5-carboxamide

2-[(4-amino-1-ethyl-3-methylpyrazole-5-carbonyl)amino]-3H-benzimidazole-5-carboxamide (PubChem CID 176944539) has the molecular formula C15H17N7O2 and a molecular weight of 327.35 g/mol. Its IUPAC name is 2-[(4-amino-1-ethyl-3-methylpyrazole-5-carbonyl)amino]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-[(4-amino-1-ethyl-3-methylpyrazole-5-carbonyl)amino]-3H-benzimidazole-5-carboxamide
PubChem CID176944539
Molecular FormulaC15H17N7O2
Molecular Weight327.35 g/mol
Exact Mass327.14
IUPAC Name2-[(4-amino-1-ethyl-3-methylpyrazole-5-carbonyl)amino]-3H-benzimidazole-5-carboxamide
SMILESCCn1nc(C)c(N)c1C(=O)Nc1nc2ccc(C(N)=O)cc2[nH]1
InChIInChI=1S/C15H17N7O2/c1-3-22-12(11(16)7(2)21-22)14(24)20-15-18-9-5-4-8(13(17)23)6-10(9)19-15/h4-6H,3,16H2,1-2H3,(H2,17,23)(H2,18,19,20,24)
InChIKeyKWOUBUPWLGDFDL-UHFFFAOYSA-N
XLogP1.02
TPSA144.71 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.35
LogP ≤ 51.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-1-ethyl-3-methylpyrazole-5-carbonyl)amino]-3H-benzimidazole-5-carboxamide?
The IUPAC name of 2-[(4-amino-1-ethyl-3-methylpyrazole-5-carbonyl)amino]-3H-benzimidazole-5-carboxamide (CID 176944539) is 2-[(4-amino-1-ethyl-3-methylpyrazole-5-carbonyl)amino]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-[(4-amino-1-ethyl-3-methylpyrazole-5-carbonyl)amino]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-[(4-amino-1-ethyl-3-methylpyrazole-5-carbonyl)amino]-3H-benzimidazole-5-carboxamide is CCn1nc(C)c(N)c1C(=O)Nc1nc2ccc(C(N)=O)cc2[nH]1.
What is the InChIKey of 2-[(4-amino-1-ethyl-3-methylpyrazole-5-carbonyl)amino]-3H-benzimidazole-5-carboxamide?
The InChIKey is KWOUBUPWLGDFDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N7O2/c1-3-22-12(11(16)7(2)21-22)14(24)20-15-18-9-5-4-8(13(17)23)6-10(9)19-15/h4-6H,3,16H2,1-2H3,(H2,17,23)(H2,18,19,20,24).
What are the key properties of 2-[(4-amino-1-ethyl-3-methylpyrazole-5-carbonyl)amino]-3H-benzimidazole-5-carboxamide?
2-[(4-amino-1-ethyl-3-methylpyrazole-5-carbonyl)amino]-3H-benzimidazole-5-carboxamide has a molecular weight of 327.35 g/mol, XLogP of 1.02, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-1-ethyl-3-methylpyrazole-5-carbonyl)amino]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 176944539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).