2-(benzotriazol-1-yl)-N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]acetamide

C18H14ClFN6O — CID 19285663

IUPAC2-(benzotriazol-1-yl)-N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]acetamide
SMILESO=C(Cn1nnc2ccccc21)Nc1ccn(Cc2c(F)cccc2Cl)n1
InChIInChI=1S/C18H14ClFN6O/c19-13-4-3-5-14(20)12(13)10-25-9-8-17(23-25)21-18(27)11-26-16-7-2-1-6-15(16)22-24-26/h1-9H,10-11H2,(H,21,23,27)
InChIKeyWELXCURXMNZQAV-UHFFFAOYSA-N
MW384.80 g/mol
LogP3.11
Rot. Bonds5

About 2-(benzotriazol-1-yl)-N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]acetamide

2-(benzotriazol-1-yl)-N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]acetamide (PubChem CID 19285663) has the molecular formula C18H14ClFN6O and a molecular weight of 384.80 g/mol. Its IUPAC name is 2-(benzotriazol-1-yl)-N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-(benzotriazol-1-yl)-N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]acetamide
PubChem CID19285663
Molecular FormulaC18H14ClFN6O
Molecular Weight384.80 g/mol
Exact Mass384.09
IUPAC Name2-(benzotriazol-1-yl)-N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]acetamide
SMILESO=C(Cn1nnc2ccccc21)Nc1ccn(Cc2c(F)cccc2Cl)n1
InChIInChI=1S/C18H14ClFN6O/c19-13-4-3-5-14(20)12(13)10-25-9-8-17(23-25)21-18(27)11-26-16-7-2-1-6-15(16)22-24-26/h1-9H,10-11H2,(H,21,23,27)
InChIKeyWELXCURXMNZQAV-UHFFFAOYSA-N
XLogP3.11
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.80
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 19525787
N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]acetamide
CID 1247534
1,3-bis[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]thiourea
CID 19395194
N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-2-(5-methyl-3-nitropyrazol-1-yl)acetamide
CID 19521270
N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-2-iodobenzamide
CID 19285590
1-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-3-naphthalen-1-ylurea
CID 17380821
2-[5-[[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]carbamoyl]pyrazol-1-yl]acetic acid
CID 19482421
N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-2-naphthalen-2-yloxyacetamide
CID 19285589
N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-2-[3-methyl-4-(4-methylphenyl)pyrazolo[3,4-b]pyridin-1-yl]acetamide
CID 19485340
N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-2,6-dimethoxybenzamide
CID 19285747
N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-3-(trifluoromethyl)benzamide
CID 19285757
N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-3-(4-methylpyrazol-1-yl)propanamide
CID 19559627

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-yl)-N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]acetamide?
The IUPAC name of 2-(benzotriazol-1-yl)-N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]acetamide (CID 19285663) is 2-(benzotriazol-1-yl)-N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]acetamide.
What is the SMILES notation for 2-(benzotriazol-1-yl)-N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]acetamide?
The canonical SMILES for 2-(benzotriazol-1-yl)-N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]acetamide is O=C(Cn1nnc2ccccc21)Nc1ccn(Cc2c(F)cccc2Cl)n1.
What is the InChIKey of 2-(benzotriazol-1-yl)-N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]acetamide?
The InChIKey is WELXCURXMNZQAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN6O/c19-13-4-3-5-14(20)12(13)10-25-9-8-17(23-25)21-18(27)11-26-16-7-2-1-6-15(16)22-24-26/h1-9H,10-11H2,(H,21,23,27).
What are the key properties of 2-(benzotriazol-1-yl)-N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]acetamide?
2-(benzotriazol-1-yl)-N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]acetamide has a molecular weight of 384.80 g/mol, XLogP of 3.11, 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-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]acetamide is sourced from PubChem (CID 19285663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).