5-chloro-1-(4-fluorophenyl)-N,N-bis(2-methoxyethyl)-3-methylpyrazole-4-carboxamide

C17H21ClFN3O3 — CID 55370769

IUPAC5-chloro-1-(4-fluorophenyl)-N,N-bis(2-methoxyethyl)-3-methylpyrazole-4-carboxamide
SMILESCOCCN(CCOC)C(=O)c1c(C)nn(-c2ccc(F)cc2)c1Cl
InChIInChI=1S/C17H21ClFN3O3/c1-12-15(17(23)21(8-10-24-2)9-11-25-3)16(18)22(20-12)14-6-4-13(19)5-7-14/h4-7H,8-11H2,1-3H3
InChIKeySHKTZUGYPHLLSY-UHFFFAOYSA-N
MW369.82 g/mol
LogP2.71
Rot. Bonds8

About 5-chloro-1-(4-fluorophenyl)-N,N-bis(2-methoxyethyl)-3-methylpyrazole-4-carboxamide

5-chloro-1-(4-fluorophenyl)-N,N-bis(2-methoxyethyl)-3-methylpyrazole-4-carboxamide (PubChem CID 55370769) has the molecular formula C17H21ClFN3O3 and a molecular weight of 369.82 g/mol. Its IUPAC name is 5-chloro-1-(4-fluorophenyl)-N,N-bis(2-methoxyethyl)-3-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-chloro-1-(4-fluorophenyl)-N,N-bis(2-methoxyethyl)-3-methylpyrazole-4-carboxamide
PubChem CID55370769
Molecular FormulaC17H21ClFN3O3
Molecular Weight369.82 g/mol
Exact Mass369.13
IUPAC Name5-chloro-1-(4-fluorophenyl)-N,N-bis(2-methoxyethyl)-3-methylpyrazole-4-carboxamide
SMILESCOCCN(CCOC)C(=O)c1c(C)nn(-c2ccc(F)cc2)c1Cl
InChIInChI=1S/C17H21ClFN3O3/c1-12-15(17(23)21(8-10-24-2)9-11-25-3)16(18)22(20-12)14-6-4-13(19)5-7-14/h4-7H,8-11H2,1-3H3
InChIKeySHKTZUGYPHLLSY-UHFFFAOYSA-N
XLogP2.71
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.82
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-1-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-N,3-dimethylpyrazole-4-carboxamide
CID 31240354
1-(4-fluorophenyl)-N-(2-methoxyethyl)-3-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20915461
5-chloro-N-[2-(N-ethyl-2-methylanilino)ethyl]-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxamide
CID 55717591
1-(4-fluorophenyl)-N-[(2R)-1-methoxypropan-2-yl]-3,5-dimethylpyrazole-4-carboxamide
CID 29354852
5-chloro-1-(4-fluorophenyl)-N,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]pyrazole-4-carboxamide
CID 31150856
5-chloro-1-(4-fluorophenyl)-N-(furan-2-ylmethyl)-3-methylpyrazole-4-carboxamide
CID 27649949
5-chloro-N-[(5-chlorothiophen-2-yl)methyl]-1-(4-fluorophenyl)-N,3-dimethylpyrazole-4-carboxamide
CID 55360982
5-chloro-1-(4-fluorophenyl)-3-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrazole-4-carboxamide
CID 51187032
N-(1-adamantylmethyl)-5-chloro-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxamide
CID 8923689
N-(4-acetamidophenyl)-5-chloro-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxamide
CID 8701464
(3,3-dimethyl-2-oxobutyl) 5-chloro-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxylate
CID 7691012
N,1-dibenzyl-5-chloro-N-(2-methoxyethyl)-3-methylpyrazole-4-carboxamide
CID 134028333

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(4-fluorophenyl)-N,N-bis(2-methoxyethyl)-3-methylpyrazole-4-carboxamide?
The IUPAC name of 5-chloro-1-(4-fluorophenyl)-N,N-bis(2-methoxyethyl)-3-methylpyrazole-4-carboxamide (CID 55370769) is 5-chloro-1-(4-fluorophenyl)-N,N-bis(2-methoxyethyl)-3-methylpyrazole-4-carboxamide.
What is the SMILES notation for 5-chloro-1-(4-fluorophenyl)-N,N-bis(2-methoxyethyl)-3-methylpyrazole-4-carboxamide?
The canonical SMILES for 5-chloro-1-(4-fluorophenyl)-N,N-bis(2-methoxyethyl)-3-methylpyrazole-4-carboxamide is COCCN(CCOC)C(=O)c1c(C)nn(-c2ccc(F)cc2)c1Cl.
What is the InChIKey of 5-chloro-1-(4-fluorophenyl)-N,N-bis(2-methoxyethyl)-3-methylpyrazole-4-carboxamide?
The InChIKey is SHKTZUGYPHLLSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClFN3O3/c1-12-15(17(23)21(8-10-24-2)9-11-25-3)16(18)22(20-12)14-6-4-13(19)5-7-14/h4-7H,8-11H2,1-3H3.
What are the key properties of 5-chloro-1-(4-fluorophenyl)-N,N-bis(2-methoxyethyl)-3-methylpyrazole-4-carboxamide?
5-chloro-1-(4-fluorophenyl)-N,N-bis(2-methoxyethyl)-3-methylpyrazole-4-carboxamide has a molecular weight of 369.82 g/mol, XLogP of 2.71, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(4-fluorophenyl)-N,N-bis(2-methoxyethyl)-3-methylpyrazole-4-carboxamide is sourced from PubChem (CID 55370769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).