3-(5-chloro-2-methoxyphenyl)-N-(3,4-dimethoxyphenyl)-1H-pyrazole-5-carboxamide

C19H18ClN3O4 — CID 46948660

IUPAC3-(5-chloro-2-methoxyphenyl)-N-(3,4-dimethoxyphenyl)-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(-c3cc(Cl)ccc3OC)n[nH]2)cc1OC
InChIInChI=1S/C19H18ClN3O4/c1-25-16-6-4-11(20)8-13(16)14-10-15(23-22-14)19(24)21-12-5-7-17(26-2)18(9-12)27-3/h4-10H,1-3H3,(H,21,24)(H,22,23)
InChIKeyFPRUQNQUKGICHX-UHFFFAOYSA-N
MW387.82 g/mol
LogP4.01
Rot. Bonds6

About 3-(5-chloro-2-methoxyphenyl)-N-(3,4-dimethoxyphenyl)-1H-pyrazole-5-carboxamide

3-(5-chloro-2-methoxyphenyl)-N-(3,4-dimethoxyphenyl)-1H-pyrazole-5-carboxamide (PubChem CID 46948660) has the molecular formula C19H18ClN3O4 and a molecular weight of 387.82 g/mol. Its IUPAC name is 3-(5-chloro-2-methoxyphenyl)-N-(3,4-dimethoxyphenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(5-chloro-2-methoxyphenyl)-N-(3,4-dimethoxyphenyl)-1H-pyrazole-5-carboxamide
PubChem CID46948660
Molecular FormulaC19H18ClN3O4
Molecular Weight387.82 g/mol
Exact Mass387.10
IUPAC Name3-(5-chloro-2-methoxyphenyl)-N-(3,4-dimethoxyphenyl)-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(-c3cc(Cl)ccc3OC)n[nH]2)cc1OC
InChIInChI=1S/C19H18ClN3O4/c1-25-16-6-4-11(20)8-13(16)14-10-15(23-22-14)19(24)21-12-5-7-17(26-2)18(9-12)27-3/h4-10H,1-3H3,(H,21,24)(H,22,23)
InChIKeyFPRUQNQUKGICHX-UHFFFAOYSA-N
XLogP4.01
TPSA85.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.82
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-methoxyphenyl)-N-(3,4-dimethoxyphenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(5-chloro-2-methoxyphenyl)-N-(3,4-dimethoxyphenyl)-1H-pyrazole-5-carboxamide (CID 46948660) is 3-(5-chloro-2-methoxyphenyl)-N-(3,4-dimethoxyphenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(5-chloro-2-methoxyphenyl)-N-(3,4-dimethoxyphenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(5-chloro-2-methoxyphenyl)-N-(3,4-dimethoxyphenyl)-1H-pyrazole-5-carboxamide is COc1ccc(NC(=O)c2cc(-c3cc(Cl)ccc3OC)n[nH]2)cc1OC.
What is the InChIKey of 3-(5-chloro-2-methoxyphenyl)-N-(3,4-dimethoxyphenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is FPRUQNQUKGICHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O4/c1-25-16-6-4-11(20)8-13(16)14-10-15(23-22-14)19(24)21-12-5-7-17(26-2)18(9-12)27-3/h4-10H,1-3H3,(H,21,24)(H,22,23).
What are the key properties of 3-(5-chloro-2-methoxyphenyl)-N-(3,4-dimethoxyphenyl)-1H-pyrazole-5-carboxamide?
3-(5-chloro-2-methoxyphenyl)-N-(3,4-dimethoxyphenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 387.82 g/mol, XLogP of 4.01, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-methoxyphenyl)-N-(3,4-dimethoxyphenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 46948660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).