4-[[2-(benzotriazol-1-yl)acetyl]amino]-1-ethyl-N-methylpyrazole-3-carboxamide

C15H17N7O2 — CID 19410760

IUPAC4-[[2-(benzotriazol-1-yl)acetyl]amino]-1-ethyl-N-methylpyrazole-3-carboxamide
SMILESCCn1cc(NC(=O)Cn2nnc3ccccc32)c(C(=O)NC)n1
InChIInChI=1S/C15H17N7O2/c1-3-21-8-11(14(19-21)15(24)16-2)17-13(23)9-22-12-7-5-4-6-10(12)18-20-22/h4-8H,3,9H2,1-2H3,(H,16,24)(H,17,23)
InChIKeyZCBDPYGUJVDNKA-UHFFFAOYSA-N
MW327.35 g/mol
LogP0.65
Rot. Bonds5

About 4-[[2-(benzotriazol-1-yl)acetyl]amino]-1-ethyl-N-methylpyrazole-3-carboxamide

4-[[2-(benzotriazol-1-yl)acetyl]amino]-1-ethyl-N-methylpyrazole-3-carboxamide (PubChem CID 19410760) has the molecular formula C15H17N7O2 and a molecular weight of 327.35 g/mol. Its IUPAC name is 4-[[2-(benzotriazol-1-yl)acetyl]amino]-1-ethyl-N-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-[[2-(benzotriazol-1-yl)acetyl]amino]-1-ethyl-N-methylpyrazole-3-carboxamide
PubChem CID19410760
Molecular FormulaC15H17N7O2
Molecular Weight327.35 g/mol
Exact Mass327.14
IUPAC Name4-[[2-(benzotriazol-1-yl)acetyl]amino]-1-ethyl-N-methylpyrazole-3-carboxamide
SMILESCCn1cc(NC(=O)Cn2nnc3ccccc32)c(C(=O)NC)n1
InChIInChI=1S/C15H17N7O2/c1-3-21-8-11(14(19-21)15(24)16-2)17-13(23)9-22-12-7-5-4-6-10(12)18-20-22/h4-8H,3,9H2,1-2H3,(H,16,24)(H,17,23)
InChIKeyZCBDPYGUJVDNKA-UHFFFAOYSA-N
XLogP0.65
TPSA106.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.35
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-[[2-(benzotriazol-1-yl)acetyl]amino]-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide
CID 19402564
2-(benzotriazol-1-yl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]acetamide
CID 19288641
2-(benzotriazol-1-yl)-N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]acetamide
CID 19331301
2-(benzotriazol-1-yl)-N-(2,4-dimethylphenyl)acetamide
CID 856334
2-(benzotriazol-1-yl)-N-(2-bromo-4-methylphenyl)acetamide
CID 856354
4-[[2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-1-ethyl-N-methylpyrazole-3-carboxamide
CID 19527236
2-(benzotriazol-1-yl)-N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 47131251
2-(benzotriazol-1-yl)-N-[2-(1,2,4-triazol-1-yl)phenyl]acetamide
CID 134062871
2-(benzotriazol-1-yl)-N-(5-tert-butyl-2-methoxyphenyl)acetamide
CID 8002209
N-(5-acetamido-2-methoxyphenyl)-2-(benzotriazol-1-yl)acetamide
CID 17457964
2-(benzotriazol-1-yl)-N-(ethylcarbamoyl)acetamide
CID 7504393
2-(benzotriazol-1-yl)-N-(3-methoxypropyl)acetamide
CID 35523277

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(benzotriazol-1-yl)acetyl]amino]-1-ethyl-N-methylpyrazole-3-carboxamide?
The IUPAC name of 4-[[2-(benzotriazol-1-yl)acetyl]amino]-1-ethyl-N-methylpyrazole-3-carboxamide (CID 19410760) is 4-[[2-(benzotriazol-1-yl)acetyl]amino]-1-ethyl-N-methylpyrazole-3-carboxamide.
What is the SMILES notation for 4-[[2-(benzotriazol-1-yl)acetyl]amino]-1-ethyl-N-methylpyrazole-3-carboxamide?
The canonical SMILES for 4-[[2-(benzotriazol-1-yl)acetyl]amino]-1-ethyl-N-methylpyrazole-3-carboxamide is CCn1cc(NC(=O)Cn2nnc3ccccc32)c(C(=O)NC)n1.
What is the InChIKey of 4-[[2-(benzotriazol-1-yl)acetyl]amino]-1-ethyl-N-methylpyrazole-3-carboxamide?
The InChIKey is ZCBDPYGUJVDNKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N7O2/c1-3-21-8-11(14(19-21)15(24)16-2)17-13(23)9-22-12-7-5-4-6-10(12)18-20-22/h4-8H,3,9H2,1-2H3,(H,16,24)(H,17,23).
What are the key properties of 4-[[2-(benzotriazol-1-yl)acetyl]amino]-1-ethyl-N-methylpyrazole-3-carboxamide?
4-[[2-(benzotriazol-1-yl)acetyl]amino]-1-ethyl-N-methylpyrazole-3-carboxamide has a molecular weight of 327.35 g/mol, XLogP of 0.65, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(benzotriazol-1-yl)acetyl]amino]-1-ethyl-N-methylpyrazole-3-carboxamide is sourced from PubChem (CID 19410760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).