2-[(4-chlorophenoxy)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylpyrazole-3-carboxamide

C18H20ClN5O2 — CID 19478740

IUPAC2-[(4-chlorophenoxy)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylpyrazole-3-carboxamide
SMILESCCn1cc(CN(C)C(=O)c2ccnn2COc2ccc(Cl)cc2)cn1
InChIInChI=1S/C18H20ClN5O2/c1-3-23-12-14(10-21-23)11-22(2)18(25)17-8-9-20-24(17)13-26-16-6-4-15(19)5-7-16/h4-10,12H,3,11,13H2,1-2H3
InChIKeyCBDRIFHPILTTDY-UHFFFAOYSA-N
MW373.84 g/mol
LogP3.06
Rot. Bonds7

About 2-[(4-chlorophenoxy)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylpyrazole-3-carboxamide

2-[(4-chlorophenoxy)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylpyrazole-3-carboxamide (PubChem CID 19478740) has the molecular formula C18H20ClN5O2 and a molecular weight of 373.84 g/mol. Its IUPAC name is 2-[(4-chlorophenoxy)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name2-[(4-chlorophenoxy)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylpyrazole-3-carboxamide
PubChem CID19478740
Molecular FormulaC18H20ClN5O2
Molecular Weight373.84 g/mol
Exact Mass373.13
IUPAC Name2-[(4-chlorophenoxy)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylpyrazole-3-carboxamide
SMILESCCn1cc(CN(C)C(=O)c2ccnn2COc2ccc(Cl)cc2)cn1
InChIInChI=1S/C18H20ClN5O2/c1-3-23-12-14(10-21-23)11-22(2)18(25)17-8-9-20-24(17)13-26-16-6-4-15(19)5-7-16/h4-10,12H,3,11,13H2,1-2H3
InChIKeyCBDRIFHPILTTDY-UHFFFAOYSA-N
XLogP3.06
TPSA65.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.84
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(4-chlorophenoxy)methyl]-N-[(1-ethylpyrazol-3-yl)methyl]-N-methylpyrazole-3-carboxamide
CID 19478746
N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-2-[(4-chlorophenoxy)methyl]-N-methylpyrazole-3-carboxamide
CID 4776582
2-[(4-chlorophenoxy)methyl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methylpyrazole-3-carboxamide
CID 19478743
2-[(4-chlorophenoxy)methyl]-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methylpyrazole-3-carboxamide
CID 19478737
N-[(1-ethylpyrazol-4-yl)methyl]-N,2-dimethylpyrazole-3-carboxamide
CID 19575699
1-[(2,4-dichlorophenoxy)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylpyrazole-3-carboxamide
CID 19278577
2-[(2-chlorophenoxy)methyl]-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylpyrazole-3-carboxamide
CID 19478731
2-[(4-chlorophenoxy)methyl]pyrazole-3-carboxylate
CID 7017629
2-[(4-chlorophenoxy)methyl]-N-[(2-ethylpyrazol-3-yl)methyl]pyrazole-3-carboxamide
CID 19294713
4-[(4-chlorophenoxy)methyl]-1-ethylpyrazole
CID 64764542
2-[(4-chlorophenoxy)methyl]-N-methylpyrazole-3-carboxamide
CID 19507567
N-butan-2-yl-2-[(4-chlorophenoxy)methyl]pyrazole-3-carboxamide
CID 19507416

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenoxy)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylpyrazole-3-carboxamide?
The IUPAC name of 2-[(4-chlorophenoxy)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylpyrazole-3-carboxamide (CID 19478740) is 2-[(4-chlorophenoxy)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylpyrazole-3-carboxamide.
What is the SMILES notation for 2-[(4-chlorophenoxy)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylpyrazole-3-carboxamide?
The canonical SMILES for 2-[(4-chlorophenoxy)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylpyrazole-3-carboxamide is CCn1cc(CN(C)C(=O)c2ccnn2COc2ccc(Cl)cc2)cn1.
What is the InChIKey of 2-[(4-chlorophenoxy)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylpyrazole-3-carboxamide?
The InChIKey is CBDRIFHPILTTDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN5O2/c1-3-23-12-14(10-21-23)11-22(2)18(25)17-8-9-20-24(17)13-26-16-6-4-15(19)5-7-16/h4-10,12H,3,11,13H2,1-2H3.
What are the key properties of 2-[(4-chlorophenoxy)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylpyrazole-3-carboxamide?
2-[(4-chlorophenoxy)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylpyrazole-3-carboxamide has a molecular weight of 373.84 g/mol, XLogP of 3.06, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenoxy)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylpyrazole-3-carboxamide is sourced from PubChem (CID 19478740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).