N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-5-methyl-1-phenylpyrazole-3-carboxamide

C18H18ClN3OS — CID 55757404

IUPACN-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-5-methyl-1-phenylpyrazole-3-carboxamide
SMILESCCN(Cc1ccc(Cl)s1)C(=O)c1cc(C)n(-c2ccccc2)n1
InChIInChI=1S/C18H18ClN3OS/c1-3-21(12-15-9-10-17(19)24-15)18(23)16-11-13(2)22(20-16)14-7-5-4-6-8-14/h4-11H,3,12H2,1-2H3
InChIKeyWCQKQRLHYABROG-UHFFFAOYSA-N
MW359.88 g/mol
LogP4.56
Rot. Bonds5

About N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-5-methyl-1-phenylpyrazole-3-carboxamide

N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-5-methyl-1-phenylpyrazole-3-carboxamide (PubChem CID 55757404) has the molecular formula C18H18ClN3OS and a molecular weight of 359.88 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-5-methyl-1-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-5-methyl-1-phenylpyrazole-3-carboxamide
PubChem CID55757404
Molecular FormulaC18H18ClN3OS
Molecular Weight359.88 g/mol
Exact Mass359.09
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-5-methyl-1-phenylpyrazole-3-carboxamide
SMILESCCN(Cc1ccc(Cl)s1)C(=O)c1cc(C)n(-c2ccccc2)n1
InChIInChI=1S/C18H18ClN3OS/c1-3-21(12-15-9-10-17(19)24-15)18(23)16-11-13(2)22(20-16)14-7-5-4-6-8-14/h4-11H,3,12H2,1-2H3
InChIKeyWCQKQRLHYABROG-UHFFFAOYSA-N
XLogP4.56
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.88
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-chlorothiophen-2-yl)methyl]-N-ethylpyridine-2-carboxamide
CID 39911714
3,5-diamino-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylbenzamide
CID 61116550
3-acetamido-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylbenzamide
CID 34132033
N-[(3-chlorophenyl)methyl]-N,5-dimethyl-1-phenylpyrazole-3-carboxamide
CID 55754908
5-methyl-1-phenylpyrazole-3-carboxylic acid
CID 698388
N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-(2-oxopyrrolidin-1-yl)benzamide
CID 27830091
3-[(5-chlorothiophen-2-yl)methyl-methylamino]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide
CID 55481941
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-phenyltriazole-4-carboxamide
CID 51177702
N-ethyl-5-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1-phenylpyrazole-3-carboxamide
CID 55754631
N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3-methylfuran-2-carboxamide
CID 134040981
ethyl 5-methyl-1-phenylpyrazole-3-carboxylate
CID 10900438
3-[[1-(3,4-dichlorophenyl)-5-methylpyrazole-3-carbonyl]-ethylamino]propanoic acid
CID 120516669

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-5-methyl-1-phenylpyrazole-3-carboxamide?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-5-methyl-1-phenylpyrazole-3-carboxamide (CID 55757404) is N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-5-methyl-1-phenylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-5-methyl-1-phenylpyrazole-3-carboxamide?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-5-methyl-1-phenylpyrazole-3-carboxamide is CCN(Cc1ccc(Cl)s1)C(=O)c1cc(C)n(-c2ccccc2)n1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-5-methyl-1-phenylpyrazole-3-carboxamide?
The InChIKey is WCQKQRLHYABROG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3OS/c1-3-21(12-15-9-10-17(19)24-15)18(23)16-11-13(2)22(20-16)14-7-5-4-6-8-14/h4-11H,3,12H2,1-2H3.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-5-methyl-1-phenylpyrazole-3-carboxamide?
N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-5-methyl-1-phenylpyrazole-3-carboxamide has a molecular weight of 359.88 g/mol, XLogP of 4.56, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-5-methyl-1-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 55757404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).