5-chloro-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-methoxybenzamide

C15H18ClN3O2 — CID 19469091

IUPAC5-chloro-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)NC(C)c1cnn(C)c1C
InChIInChI=1S/C15H18ClN3O2/c1-9(13-8-17-19(3)10(13)2)18-15(20)12-7-11(16)5-6-14(12)21-4/h5-9H,1-4H3,(H,18,20)
InChIKeyGNZKKXULBNPVBN-UHFFFAOYSA-N
MW307.78 g/mol
LogP2.88
Rot. Bonds4

About 5-chloro-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-methoxybenzamide

5-chloro-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-methoxybenzamide (PubChem CID 19469091) has the molecular formula C15H18ClN3O2 and a molecular weight of 307.78 g/mol. Its IUPAC name is 5-chloro-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-methoxybenzamide.

Molecular Properties

Compound Name5-chloro-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-methoxybenzamide
PubChem CID19469091
Molecular FormulaC15H18ClN3O2
Molecular Weight307.78 g/mol
Exact Mass307.11
IUPAC Name5-chloro-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)NC(C)c1cnn(C)c1C
InChIInChI=1S/C15H18ClN3O2/c1-9(13-8-17-19(3)10(13)2)18-15(20)12-7-11(16)5-6-14(12)21-4/h5-9H,1-4H3,(H,18,20)
InChIKeyGNZKKXULBNPVBN-UHFFFAOYSA-N
XLogP2.88
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-methoxy-N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]benzamide
CID 35276397
2-chloro-N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-4,5-difluorobenzamide
CID 94802139
5-chloro-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-methoxybenzamide
CID 39854287
2,4-dichloro-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-5-fluorobenzamide
CID 48529543
6-(4-chlorophenyl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 46975846
2-chloro-N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-5-methylsulfanylbenzamide
CID 94805812
2-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]benzamide
CID 61214245
N-[1-(4-aminophenyl)ethyl]-5-chloro-2-methoxybenzamide
CID 43297510
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-methylfuran-3-carboxamide
CID 43073935
5-chloro-2-methoxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 103716401
N-[(2S)-butan-2-yl]-5-chloro-2-methoxybenzamide
CID 848311
3-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-methylbenzamide
CID 78985186

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-methoxybenzamide?
The IUPAC name of 5-chloro-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-methoxybenzamide (CID 19469091) is 5-chloro-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-methoxybenzamide.
What is the SMILES notation for 5-chloro-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-methoxybenzamide?
The canonical SMILES for 5-chloro-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-methoxybenzamide is COc1ccc(Cl)cc1C(=O)NC(C)c1cnn(C)c1C.
What is the InChIKey of 5-chloro-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-methoxybenzamide?
The InChIKey is GNZKKXULBNPVBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2/c1-9(13-8-17-19(3)10(13)2)18-15(20)12-7-11(16)5-6-14(12)21-4/h5-9H,1-4H3,(H,18,20).
What are the key properties of 5-chloro-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-methoxybenzamide?
5-chloro-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-methoxybenzamide has a molecular weight of 307.78 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-methoxybenzamide is sourced from PubChem (CID 19469091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).