5-chloro-N-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-2-methoxybenzamide

C15H18ClN3O2 — CID 887885

IUPAC5-chloro-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-methoxybenzamide
SMILESCCN1C=C(C(=N1)C)CNC(=O)C2=C(C=CC(=C2)Cl)OC
InChIInChI=1S/C15H18ClN3O2/c1-4-19-9-11(10(2)18-19)8-17-15(20)13-7-12(16)5-6-14(13)21-3/h5-7,9H,4,8H2,1-3H3,(H,17,20)
InChIKeyZFGLYKDBLBXDET-UHFFFAOYSA-N
MW307.77 g/mol
LogP2.30
Rot. Bonds5

About 5-chloro-N-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-2-methoxybenzamide

5-chloro-N-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-2-methoxybenzamide (PubChem CID 887885) has the molecular formula C15H18ClN3O2 and a molecular weight of 307.77 g/mol. Its IUPAC name is 5-chloro-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-methoxybenzamide.

Molecular Properties

Compound Name5-chloro-N-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-2-methoxybenzamide
PubChem CID887885
Molecular FormulaC15H18ClN3O2
Molecular Weight307.77 g/mol
Exact Mass307.11
IUPAC Name5-chloro-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-methoxybenzamide
SMILESCCN1C=C(C(=N1)C)CNC(=O)C2=C(C=CC(=C2)Cl)OC
InChIInChI=1S/C15H18ClN3O2/c1-4-19-9-11(10(2)18-19)8-17-15(20)13-7-12(16)5-6-14(13)21-3/h5-7,9H,4,8H2,1-3H3,(H,17,20)
InChIKeyZFGLYKDBLBXDET-UHFFFAOYSA-N
XLogP2.30
TPSA56.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity356

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.77
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl)-2-methoxybenzamide
CID 658803
5-chloro-N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-2-methoxybenzamide
CID 841893
1-[(5-chloro-2-phenylmethoxyphenyl)methyl]-5-methyl-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide
CID 44448445
1-[[5-Chloro-2-(2-methylpropoxy)phenyl]methyl]-5-methylpyrazole-3-carboxamide
CID 44448446
1-[(5-chloro-2-phenylmethoxyphenyl)methyl]-5-methyl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide
CID 44448486
1-({5-Chloro-2-[(phenylmethyl)oxy]phenyl}methyl)-5-methyl-N-(2-pyridinylmethyl)-1H-pyrazole-3-carboxamide
CID 44448488
N-benzyl-1-[(5-chloro-2-phenylmethoxyphenyl)methyl]-5-methylpyrazole-3-carboxamide
CID 44448521
1-({5-Chloro-2-[(phenylmethyl)oxy]phenyl}methyl)-5-methyl-N-(1-methylethyl)-1H-pyrazole-3-carboxamide
CID 44448597
1-[(5-chloro-2-phenylmethoxyphenyl)methyl]-N,5-dimethylpyrazole-3-carboxamide
CID 44448599
1-({5-Chloro-2-[(phenylmethyl)oxy]phenyl}methyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 44448636
5-chloro-2-methoxy-N-pyridin-4-ylbenzamide
CID 868972
(5-chloro-2-methoxyphenyl)(3,5-dimethyl-1H-pyrazol-1-yl)methanone
CID 887689

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-2-methoxybenzamide?
The IUPAC name of 5-chloro-N-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-2-methoxybenzamide (CID 887885) is 5-chloro-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-methoxybenzamide.
What is the SMILES notation for 5-chloro-N-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-2-methoxybenzamide?
The canonical SMILES for 5-chloro-N-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-2-methoxybenzamide is CCN1C=C(C(=N1)C)CNC(=O)C2=C(C=CC(=C2)Cl)OC.
What is the InChIKey of 5-chloro-N-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-2-methoxybenzamide?
The InChIKey is ZFGLYKDBLBXDET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2/c1-4-19-9-11(10(2)18-19)8-17-15(20)13-7-12(16)5-6-14(13)21-3/h5-7,9H,4,8H2,1-3H3,(H,17,20).
What are the key properties of 5-chloro-N-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-2-methoxybenzamide?
5-chloro-N-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-2-methoxybenzamide has a molecular weight of 307.77 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-2-methoxybenzamide is sourced from PubChem (CID 887885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).