N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-N-methylcyclohexanecarboxamide

C14H22ClN3O — CID 19464702

IUPACN-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-N-methylcyclohexanecarboxamide
SMILESCCn1ncc(Cl)c1CN(C)C(=O)C1CCCCC1
InChIInChI=1S/C14H22ClN3O/c1-3-18-13(12(15)9-16-18)10-17(2)14(19)11-7-5-4-6-8-11/h9,11H,3-8,10H2,1-2H3
InChIKeySTUSNSUEUSKBEV-UHFFFAOYSA-N
MW283.80 g/mol
LogP3.10
Rot. Bonds4

About N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-N-methylcyclohexanecarboxamide

N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-N-methylcyclohexanecarboxamide (PubChem CID 19464702) has the molecular formula C14H22ClN3O and a molecular weight of 283.80 g/mol. Its IUPAC name is N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-N-methylcyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-N-methylcyclohexanecarboxamide
PubChem CID19464702
Molecular FormulaC14H22ClN3O
Molecular Weight283.80 g/mol
Exact Mass283.15
IUPAC NameN-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-N-methylcyclohexanecarboxamide
SMILESCCn1ncc(Cl)c1CN(C)C(=O)C1CCCCC1
InChIInChI=1S/C14H22ClN3O/c1-3-18-13(12(15)9-16-18)10-17(2)14(19)11-7-5-4-6-8-11/h9,11H,3-8,10H2,1-2H3
InChIKeySTUSNSUEUSKBEV-UHFFFAOYSA-N
XLogP3.10
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]cyclohexanecarboxamide
CID 19296920
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-1-(1,5-dimethylpyrazol-4-yl)sulfonyl-N-methylpiperidine-3-carboxamide
CID 17025161
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-4-methoxy-N-methylbenzamide
CID 19460813
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-1-ethyl-N-methyl-4-nitropyrazole-5-carboxamide
CID 19507703
N-[[2-(3-ethyl-3,8-diazabicyclo[3.2.1]octan-8-yl)pyrimidin-5-yl]methyl]-N-methylcyclohexanecarboxamide
CID 163400980
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-N-methyl-4-nitrobenzamide
CID 19464710
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-2-(4-chlorophenyl)-N-methylcyclopropane-1-carboxamide
CID 19460310
N-[[4-(aminomethyl)phenyl]methyl]-N-methylcyclooctanecarboxamide
CID 65019365
1-(4-chloro-1-ethylpyrazol-5-yl)-2-cyclohexylethane-1,2-diol
CID 103459014
1-[3-[(4-chloro-1-ethylpyrazol-5-yl)methyl-methylamino]-3-oxopropyl]pyrazole-3-carboxylic acid
CID 19470790
N-(2-chloropropyl)-N-methylcycloheptanecarboxamide
CID 63393755
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-1-ethyl-N-methyl-4-nitropyrazole-3-carboxamide
CID 19278061

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-N-methylcyclohexanecarboxamide?
The IUPAC name of N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-N-methylcyclohexanecarboxamide (CID 19464702) is N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-N-methylcyclohexanecarboxamide.
What is the SMILES notation for N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-N-methylcyclohexanecarboxamide?
The canonical SMILES for N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-N-methylcyclohexanecarboxamide is CCn1ncc(Cl)c1CN(C)C(=O)C1CCCCC1.
What is the InChIKey of N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-N-methylcyclohexanecarboxamide?
The InChIKey is STUSNSUEUSKBEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O/c1-3-18-13(12(15)9-16-18)10-17(2)14(19)11-7-5-4-6-8-11/h9,11H,3-8,10H2,1-2H3.
What are the key properties of N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-N-methylcyclohexanecarboxamide?
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-N-methylcyclohexanecarboxamide has a molecular weight of 283.80 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-N-methylcyclohexanecarboxamide is sourced from PubChem (CID 19464702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).