N-[2-(3-chlorophenyl)-2-methoxyethyl]-1-ethylpyrazole-4-carboxamide

C15H18ClN3O2 — CID 71993878

IUPACN-[2-(3-chlorophenyl)-2-methoxyethyl]-1-ethylpyrazole-4-carboxamide
SMILESCCn1cc(C(=O)NCC(OC)c2cccc(Cl)c2)cn1
InChIInChI=1S/C15H18ClN3O2/c1-3-19-10-12(8-18-19)15(20)17-9-14(21-2)11-5-4-6-13(16)7-11/h4-8,10,14H,3,9H2,1-2H3,(H,17,20)
InChIKeyJLSWYDBOQYMRKD-UHFFFAOYSA-N
MW307.78 g/mol
LogP2.67
Rot. Bonds6

About N-[2-(3-chlorophenyl)-2-methoxyethyl]-1-ethylpyrazole-4-carboxamide

N-[2-(3-chlorophenyl)-2-methoxyethyl]-1-ethylpyrazole-4-carboxamide (PubChem CID 71993878) has the molecular formula C15H18ClN3O2 and a molecular weight of 307.78 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)-2-methoxyethyl]-1-ethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)-2-methoxyethyl]-1-ethylpyrazole-4-carboxamide
PubChem CID71993878
Molecular FormulaC15H18ClN3O2
Molecular Weight307.78 g/mol
Exact Mass307.11
IUPAC NameN-[2-(3-chlorophenyl)-2-methoxyethyl]-1-ethylpyrazole-4-carboxamide
SMILESCCn1cc(C(=O)NCC(OC)c2cccc(Cl)c2)cn1
InChIInChI=1S/C15H18ClN3O2/c1-3-19-10-12(8-18-19)15(20)17-9-14(21-2)11-5-4-6-13(16)7-11/h4-8,10,14H,3,9H2,1-2H3,(H,17,20)
InChIKeyJLSWYDBOQYMRKD-UHFFFAOYSA-N
XLogP2.67
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(ethoxymethyl)phenyl]methyl]-1-methylpyrazole-4-carboxamide
CID 37358108
3-methoxy-N-(2-methoxy-2-(o-tolyl)ethyl)-1-methyl-1H-pyrazole-4-carboxamide
CID 71810469
2-(4-chlorophenyl)-4-[3-(4-chloro-1H-pyrazol-1-yl)propanoyl]morpholine
CID 56746878
(2-(3,5-dichlorophenyl)morpholino)(3-methoxy-1-methyl-1H-pyrazol-4-yl)methanone
CID 71804699
N-[(R)-2-methoxy-2-(o-tolyl)ethyl]-3-methoxy-1-methyl-4-pyrazolecarboxamide
CID 97417658
1-methyl-N-[2-(4-methylphenyl)oxan-3-yl]pyrazole-4-carboxamide
CID 71983757
N-[(2R)-2-(2,6-dichlorophenyl)-2-hydroxyethyl]-3-(4-methylpyrazol-1-yl)propanamide
CID 95775523
N-[(2R)-2-(4-chlorophenyl)-2-hydroxyethyl]-1-(2-methoxyethyl)-3-methylpyrazole-4-carboxamide
CID 137979580
benzyl (2S)-2-[(5-chloro-1-propan-2-ylpyrazole-4-carbonyl)amino]-3,3-dimethylbutanoate
CID 138037548
3-difluoromethyl-1-methyl-1H-pyrazole-4-carboxylic acid [2-(2,4-dichlorophenyl)-2-methoxy-1-methyl-ethyl]-amide
CID 25102833
N-[(1R,2S)-1-(2,4-dichlorophenyl)-1-methoxypropan-2-yl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide
CID 66714002
N-[(1S,2S)-1-(2,4-dichlorophenyl)-1-methoxypropan-2-yl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide
CID 66716588

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)-2-methoxyethyl]-1-ethylpyrazole-4-carboxamide?
The IUPAC name of N-[2-(3-chlorophenyl)-2-methoxyethyl]-1-ethylpyrazole-4-carboxamide (CID 71993878) is N-[2-(3-chlorophenyl)-2-methoxyethyl]-1-ethylpyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)-2-methoxyethyl]-1-ethylpyrazole-4-carboxamide?
The canonical SMILES for N-[2-(3-chlorophenyl)-2-methoxyethyl]-1-ethylpyrazole-4-carboxamide is CCn1cc(C(=O)NCC(OC)c2cccc(Cl)c2)cn1.
What is the InChIKey of N-[2-(3-chlorophenyl)-2-methoxyethyl]-1-ethylpyrazole-4-carboxamide?
The InChIKey is JLSWYDBOQYMRKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2/c1-3-19-10-12(8-18-19)15(20)17-9-14(21-2)11-5-4-6-13(16)7-11/h4-8,10,14H,3,9H2,1-2H3,(H,17,20).
What are the key properties of N-[2-(3-chlorophenyl)-2-methoxyethyl]-1-ethylpyrazole-4-carboxamide?
N-[2-(3-chlorophenyl)-2-methoxyethyl]-1-ethylpyrazole-4-carboxamide has a molecular weight of 307.78 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)-2-methoxyethyl]-1-ethylpyrazole-4-carboxamide is sourced from PubChem (CID 71993878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).