2-(benzotriazol-1-yl)-N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]acetamide

C14H15ClN6O — CID 19331301

IUPAC2-(benzotriazol-1-yl)-N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]acetamide
SMILESCCn1cc(Cl)c(CNC(=O)Cn2nnc3ccccc32)n1
InChIInChI=1S/C14H15ClN6O/c1-2-20-8-10(15)12(18-20)7-16-14(22)9-21-13-6-4-3-5-11(13)17-19-21/h3-6,8H,2,7,9H2,1H3,(H,16,22)
InChIKeyFOENXGOOFRYEKE-UHFFFAOYSA-N
MW318.77 g/mol
LogP1.62
Rot. Bonds5

About 2-(benzotriazol-1-yl)-N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]acetamide

2-(benzotriazol-1-yl)-N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]acetamide (PubChem CID 19331301) has the molecular formula C14H15ClN6O and a molecular weight of 318.77 g/mol. Its IUPAC name is 2-(benzotriazol-1-yl)-N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(benzotriazol-1-yl)-N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]acetamide
PubChem CID19331301
Molecular FormulaC14H15ClN6O
Molecular Weight318.77 g/mol
Exact Mass318.10
IUPAC Name2-(benzotriazol-1-yl)-N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]acetamide
SMILESCCn1cc(Cl)c(CNC(=O)Cn2nnc3ccccc32)n1
InChIInChI=1S/C14H15ClN6O/c1-2-20-8-10(15)12(18-20)7-16-14(22)9-21-13-6-4-3-5-11(13)17-19-21/h3-6,8H,2,7,9H2,1H3,(H,16,22)
InChIKeyFOENXGOOFRYEKE-UHFFFAOYSA-N
XLogP1.62
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.77
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(benzotriazol-1-yl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]acetamide
CID 19288641
2-(benzotriazol-1-yl)-N-[(2-ethylpyrazol-3-yl)methyl]acetamide
CID 19294552
2-(benzotriazol-1-yl)-N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]acetamide
CID 19323056
4-[[2-(benzotriazol-1-yl)acetyl]amino]-1-ethyl-N-methylpyrazole-3-carboxamide
CID 19410760
4-[[2-(benzotriazol-1-yl)acetyl]amino]-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide
CID 19402564
N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-2-(2-methylphenoxy)acetamide
CID 19333020
2-(benzotriazol-1-yl)-N-(ethylcarbamoyl)acetamide
CID 7504393
2-(benzotriazol-1-yl)-N-[2-(dimethylamino)ethyl]acetamide
CID 10377301
N-(benzotriazol-1-ylmethyl)propanamide
CID 3767707
2-(benzotriazol-1-yl)-N-(3-methoxypropyl)acetamide
CID 35523277
2-(benzotriazol-1-yl)-N-[(Z)-1-(2-chlorophenyl)ethylideneamino]acetamide
CID 6050680
2-(benzotriazol-1-yl)-N-(2,6-dichloro-3-methylphenyl)acetamide
CID 7504195

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-yl)-N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]acetamide?
The IUPAC name of 2-(benzotriazol-1-yl)-N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]acetamide (CID 19331301) is 2-(benzotriazol-1-yl)-N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]acetamide.
What is the SMILES notation for 2-(benzotriazol-1-yl)-N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]acetamide?
The canonical SMILES for 2-(benzotriazol-1-yl)-N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]acetamide is CCn1cc(Cl)c(CNC(=O)Cn2nnc3ccccc32)n1.
What is the InChIKey of 2-(benzotriazol-1-yl)-N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]acetamide?
The InChIKey is FOENXGOOFRYEKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN6O/c1-2-20-8-10(15)12(18-20)7-16-14(22)9-21-13-6-4-3-5-11(13)17-19-21/h3-6,8H,2,7,9H2,1H3,(H,16,22).
What are the key properties of 2-(benzotriazol-1-yl)-N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]acetamide?
2-(benzotriazol-1-yl)-N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]acetamide has a molecular weight of 318.77 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-1-yl)-N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]acetamide is sourced from PubChem (CID 19331301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).