4-chloro-N-(2,5-dimethoxyphenyl)-1,3-dimethylpyrazole-5-carboxamide

C14H16ClN3O3 — CID 4278668

IUPAC4-chloro-N-(2,5-dimethoxyphenyl)-1,3-dimethylpyrazole-5-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2c(Cl)c(C)nn2C)c1
InChIInChI=1S/C14H16ClN3O3/c1-8-12(15)13(18(2)17-8)14(19)16-10-7-9(20-3)5-6-11(10)21-4/h5-7H,1-4H3,(H,16,19)
InChIKeyHHCZETMKZGMEQI-UHFFFAOYSA-N
MW309.75 g/mol
LogP2.65
Rot. Bonds4

About 4-chloro-N-(2,5-dimethoxyphenyl)-1,3-dimethylpyrazole-5-carboxamide

4-chloro-N-(2,5-dimethoxyphenyl)-1,3-dimethylpyrazole-5-carboxamide (PubChem CID 4278668) has the molecular formula C14H16ClN3O3 and a molecular weight of 309.75 g/mol. Its IUPAC name is 4-chloro-N-(2,5-dimethoxyphenyl)-1,3-dimethylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(2,5-dimethoxyphenyl)-1,3-dimethylpyrazole-5-carboxamide
PubChem CID4278668
Molecular FormulaC14H16ClN3O3
Molecular Weight309.75 g/mol
Exact Mass309.09
IUPAC Name4-chloro-N-(2,5-dimethoxyphenyl)-1,3-dimethylpyrazole-5-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2c(Cl)c(C)nn2C)c1
InChIInChI=1S/C14H16ClN3O3/c1-8-12(15)13(18(2)17-8)14(19)16-10-7-9(20-3)5-6-11(10)21-4/h5-7H,1-4H3,(H,16,19)
InChIKeyHHCZETMKZGMEQI-UHFFFAOYSA-N
XLogP2.65
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.75
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-(5-chloro-2-methoxyphenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 5048499
4-amino-N-(5-chloro-2-methoxyphenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 66121449
4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2,5-dimethoxyphenyl)benzamide
CID 26415061
6-chloro-N-(2,5-dimethoxyphenyl)imidazo[1,2-b]pyridazine-2-carboxamide
CID 87051171
N-(2,5-dimethoxyphenyl)-2-oxo-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 134061803
4-amino-N-(4-methoxy-2-methylphenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 66124203
4-amino-N-(4-chloro-2-methoxy-5-methylphenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 66121054
1-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]-3-(2,5-dimethoxyphenyl)urea
CID 35281376
1-(2,5-dimethoxyphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)thiourea
CID 17283631
4-chloro-N-[3-(4-methoxyphenoxy)-5-nitrophenyl]-1,3-dimethylpyrazole-5-carboxamide
CID 19476986
N-(2,5-dimethoxyphenyl)-6-methylpyridine-2-carboxamide
CID 31808969
N-(2,5-dimethoxyphenyl)-2,6-dimethylpyrimidine-4-carboxamide
CID 110860509

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2,5-dimethoxyphenyl)-1,3-dimethylpyrazole-5-carboxamide?
The IUPAC name of 4-chloro-N-(2,5-dimethoxyphenyl)-1,3-dimethylpyrazole-5-carboxamide (CID 4278668) is 4-chloro-N-(2,5-dimethoxyphenyl)-1,3-dimethylpyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-N-(2,5-dimethoxyphenyl)-1,3-dimethylpyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-N-(2,5-dimethoxyphenyl)-1,3-dimethylpyrazole-5-carboxamide is COc1ccc(OC)c(NC(=O)c2c(Cl)c(C)nn2C)c1.
What is the InChIKey of 4-chloro-N-(2,5-dimethoxyphenyl)-1,3-dimethylpyrazole-5-carboxamide?
The InChIKey is HHCZETMKZGMEQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O3/c1-8-12(15)13(18(2)17-8)14(19)16-10-7-9(20-3)5-6-11(10)21-4/h5-7H,1-4H3,(H,16,19).
What are the key properties of 4-chloro-N-(2,5-dimethoxyphenyl)-1,3-dimethylpyrazole-5-carboxamide?
4-chloro-N-(2,5-dimethoxyphenyl)-1,3-dimethylpyrazole-5-carboxamide has a molecular weight of 309.75 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2,5-dimethoxyphenyl)-1,3-dimethylpyrazole-5-carboxamide is sourced from PubChem (CID 4278668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).