4-chloro-3-ethyl-N-[(4-ethylphenyl)methyl]-1-methylpyrazole-5-carboxamide

C16H20ClN3O — CID 14460827

IUPAC4-chloro-3-ethyl-N-[(4-ethylphenyl)methyl]-1-methylpyrazole-5-carboxamide
SMILESCCc1ccc(CNC(=O)c2c(Cl)c(CC)nn2C)cc1
InChIInChI=1S/C16H20ClN3O/c1-4-11-6-8-12(9-7-11)10-18-16(21)15-14(17)13(5-2)19-20(15)3/h6-9H,4-5,10H2,1-3H3,(H,18,21)
InChIKeyXKJWGRGOVABXRA-UHFFFAOYSA-N
MW305.81 g/mol
LogP3.13
Rot. Bonds5

About 4-chloro-3-ethyl-N-[(4-ethylphenyl)methyl]-1-methylpyrazole-5-carboxamide

4-chloro-3-ethyl-N-[(4-ethylphenyl)methyl]-1-methylpyrazole-5-carboxamide (PubChem CID 14460827) has the molecular formula C16H20ClN3O and a molecular weight of 305.81 g/mol. Its IUPAC name is 4-chloro-3-ethyl-N-[(4-ethylphenyl)methyl]-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-3-ethyl-N-[(4-ethylphenyl)methyl]-1-methylpyrazole-5-carboxamide
PubChem CID14460827
Molecular FormulaC16H20ClN3O
Molecular Weight305.81 g/mol
Exact Mass305.13
IUPAC Name4-chloro-3-ethyl-N-[(4-ethylphenyl)methyl]-1-methylpyrazole-5-carboxamide
SMILESCCc1ccc(CNC(=O)c2c(Cl)c(CC)nn2C)cc1
InChIInChI=1S/C16H20ClN3O/c1-4-11-6-8-12(9-7-11)10-18-16(21)15-14(17)13(5-2)19-20(15)3/h6-9H,4-5,10H2,1-3H3,(H,18,21)
InChIKeyXKJWGRGOVABXRA-UHFFFAOYSA-N
XLogP3.13
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-3-ethyl-N-[(4-hexylphenyl)methyl]-1-methylpyrazole-5-carboxamide
CID 14460836
ethyl 4-[4-[[(4-chloro-3-ethyl-1-methylpyrazole-5-carbonyl)amino]methyl]phenoxy]benzoate
CID 15008453
4-chloro-3-ethyl-1-methyl-N-[[4-[4-(trifluoromethyl)phenoxy]phenyl]methyl]pyrazole-5-carboxamide
CID 15008416
4-chloro-N-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methyl]-3-ethyl-1-methylpyrazole-5-carboxamide
CID 19996056
4-chloro-3-ethyl-1-methyl-N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]pyrazole-5-carboxamide
CID 141476995
4-chloro-3-ethyl-N-[[4-(2-(18F)fluoroethoxymethyl)phenyl]methyl]-1-methylpyrazole-5-carboxamide;1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-[4-(4-(18F)fluorobutyl)phenyl]propan-1-one
CID 158717413
N-[(4-tert-butylphenyl)methyl]-4-chloro-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 24865554
3-acetyl-N-[(4-tert-butylphenyl)methyl]-4-chloro-1-methylpyrazole-5-carboxamide
CID 59678617
3-ethyl-N-[[4-(hydroxymethyl)phenyl]methyl]-1-methylpyrazole-4-carboxamide
CID 107231636
N-[(4-tert-butylphenyl)methyl]-4-chloro-3-cyclopropyl-1-methylpyrazole-5-carboxamide
CID 14460888
4-amino-3-ethyl-N-[(3-fluorophenyl)methyl]-1-methylpyrazole-5-carboxamide
CID 66122977
N-[(5-butylcyclohepta-1,3,4,6-tetraen-1-yl)methyl]-4-chloro-3-ethyl-1-methylpyrazole-5-carboxamide
CID 143095035

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-ethyl-N-[(4-ethylphenyl)methyl]-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-chloro-3-ethyl-N-[(4-ethylphenyl)methyl]-1-methylpyrazole-5-carboxamide (CID 14460827) is 4-chloro-3-ethyl-N-[(4-ethylphenyl)methyl]-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-3-ethyl-N-[(4-ethylphenyl)methyl]-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-3-ethyl-N-[(4-ethylphenyl)methyl]-1-methylpyrazole-5-carboxamide is CCc1ccc(CNC(=O)c2c(Cl)c(CC)nn2C)cc1.
What is the InChIKey of 4-chloro-3-ethyl-N-[(4-ethylphenyl)methyl]-1-methylpyrazole-5-carboxamide?
The InChIKey is XKJWGRGOVABXRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O/c1-4-11-6-8-12(9-7-11)10-18-16(21)15-14(17)13(5-2)19-20(15)3/h6-9H,4-5,10H2,1-3H3,(H,18,21).
What are the key properties of 4-chloro-3-ethyl-N-[(4-ethylphenyl)methyl]-1-methylpyrazole-5-carboxamide?
4-chloro-3-ethyl-N-[(4-ethylphenyl)methyl]-1-methylpyrazole-5-carboxamide has a molecular weight of 305.81 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-ethyl-N-[(4-ethylphenyl)methyl]-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 14460827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).