4-chloro-1,3-dimethyl-N-[[4-(4-methylphenoxy)phenyl]methyl]pyrazole-5-carboxamide

C20H20ClN3O2 — CID 15008433

IUPAC4-chloro-1,3-dimethyl-N-[[4-(4-methylphenoxy)phenyl]methyl]pyrazole-5-carboxamide
SMILESCc1ccc(Oc2ccc(CNC(=O)c3c(Cl)c(C)nn3C)cc2)cc1
InChIInChI=1S/C20H20ClN3O2/c1-13-4-8-16(9-5-13)26-17-10-6-15(7-11-17)12-22-20(25)19-18(21)14(2)23-24(19)3/h4-11H,12H2,1-3H3,(H,22,25)
InChIKeySEZFODHNNGEEDP-UHFFFAOYSA-N
MW369.85 g/mol
LogP4.41
Rot. Bonds5

About 4-chloro-1,3-dimethyl-N-[[4-(4-methylphenoxy)phenyl]methyl]pyrazole-5-carboxamide

4-chloro-1,3-dimethyl-N-[[4-(4-methylphenoxy)phenyl]methyl]pyrazole-5-carboxamide (PubChem CID 15008433) has the molecular formula C20H20ClN3O2 and a molecular weight of 369.85 g/mol. Its IUPAC name is 4-chloro-1,3-dimethyl-N-[[4-(4-methylphenoxy)phenyl]methyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-1,3-dimethyl-N-[[4-(4-methylphenoxy)phenyl]methyl]pyrazole-5-carboxamide
PubChem CID15008433
Molecular FormulaC20H20ClN3O2
Molecular Weight369.85 g/mol
Exact Mass369.12
IUPAC Name4-chloro-1,3-dimethyl-N-[[4-(4-methylphenoxy)phenyl]methyl]pyrazole-5-carboxamide
SMILESCc1ccc(Oc2ccc(CNC(=O)c3c(Cl)c(C)nn3C)cc2)cc1
InChIInChI=1S/C20H20ClN3O2/c1-13-4-8-16(9-5-13)26-17-10-6-15(7-11-17)12-22-20(25)19-18(21)14(2)23-24(19)3/h4-11H,12H2,1-3H3,(H,22,25)
InChIKeySEZFODHNNGEEDP-UHFFFAOYSA-N
XLogP4.41
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.85
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Tolfenpyrad
CID 10110536
4-chloro-N-[[4-(4-chlorophenoxy)phenyl]methyl]-1,3-dimethylpyrazole-5-carboxamide
CID 162670337
4-chloro-N-[[4-(4-chlorophenoxy)phenyl]methyl]-1-methylpyrazole-5-carboxamide
CID 162673561
4-chloro-N-[[4-[(6-chloro-3-pyridinyl)oxy]phenyl]methyl]-1,3-dimethylpyrazole-5-carboxamide
CID 162677266
N-cyclopropyl-5-(4-methoxybenzyl)-4-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 3780243
N-(4-methoxybenzyl)-3-methyl-1-phenyl-1H-pyrazole-5-carboxamide
CID 5015296
4-[3,4-Dimethyl-2-(4-methylphenyl)-7-oxo-2H,6H,7H-pyrazolo[3,4-D]pyridazin-6-YL]-N-[(4-methoxyphenyl)methyl]butanamide
CID 20919914
N-benzyl-1-[(5-chloro-2-phenylmethoxyphenyl)methyl]-5-methylpyrazole-3-carboxamide
CID 44448521
1-({5-Chloro-2-[(phenylmethyl)oxy]phenyl}methyl)-5-methyl-N-(1-methylethyl)-1H-pyrazole-3-carboxamide
CID 44448597
1-[(5-chloro-2-phenylmethoxyphenyl)methyl]-5-methyl-N-phenylpyrazole-3-carboxamide
CID 44448598
1-[(5-chloro-2-phenylmethoxyphenyl)methyl]-N,5-dimethylpyrazole-3-carboxamide
CID 44448599
1-({5-Chloro-2-[(phenylmethyl)oxy]phenyl}methyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 44448636

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1,3-dimethyl-N-[[4-(4-methylphenoxy)phenyl]methyl]pyrazole-5-carboxamide?
The IUPAC name of 4-chloro-1,3-dimethyl-N-[[4-(4-methylphenoxy)phenyl]methyl]pyrazole-5-carboxamide (CID 15008433) is 4-chloro-1,3-dimethyl-N-[[4-(4-methylphenoxy)phenyl]methyl]pyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-1,3-dimethyl-N-[[4-(4-methylphenoxy)phenyl]methyl]pyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-1,3-dimethyl-N-[[4-(4-methylphenoxy)phenyl]methyl]pyrazole-5-carboxamide is Cc1ccc(Oc2ccc(CNC(=O)c3c(Cl)c(C)nn3C)cc2)cc1.
What is the InChIKey of 4-chloro-1,3-dimethyl-N-[[4-(4-methylphenoxy)phenyl]methyl]pyrazole-5-carboxamide?
The InChIKey is SEZFODHNNGEEDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O2/c1-13-4-8-16(9-5-13)26-17-10-6-15(7-11-17)12-22-20(25)19-18(21)14(2)23-24(19)3/h4-11H,12H2,1-3H3,(H,22,25).
What are the key properties of 4-chloro-1,3-dimethyl-N-[[4-(4-methylphenoxy)phenyl]methyl]pyrazole-5-carboxamide?
4-chloro-1,3-dimethyl-N-[[4-(4-methylphenoxy)phenyl]methyl]pyrazole-5-carboxamide has a molecular weight of 369.85 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1,3-dimethyl-N-[[4-(4-methylphenoxy)phenyl]methyl]pyrazole-5-carboxamide is sourced from PubChem (CID 15008433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).