3-amino-N-(4-chlorophenyl)-4-(2,4-dimethoxyphenyl)pyrazole-1-carboxamide

C18H17ClN4O3 — CID 1299360

IUPAC3-amino-N-(4-chlorophenyl)-4-(2,4-dimethoxyphenyl)pyrazole-1-carboxamide
SMILESCOc1ccc(-c2cn(C(=O)Nc3ccc(Cl)cc3)nc2N)c(OC)c1
InChIInChI=1S/C18H17ClN4O3/c1-25-13-7-8-14(16(9-13)26-2)15-10-23(22-17(15)20)18(24)21-12-5-3-11(19)4-6-12/h3-10H,1-2H3,(H2,20,22)(H,21,24)
InChIKeyCLOBEBOKQRDRHW-UHFFFAOYSA-N
MW372.81 g/mol
LogP3.88
Rot. Bonds4

About 3-amino-N-(4-chlorophenyl)-4-(2,4-dimethoxyphenyl)pyrazole-1-carboxamide

3-amino-N-(4-chlorophenyl)-4-(2,4-dimethoxyphenyl)pyrazole-1-carboxamide (PubChem CID 1299360) has the molecular formula C18H17ClN4O3 and a molecular weight of 372.81 g/mol. Its IUPAC name is 3-amino-N-(4-chlorophenyl)-4-(2,4-dimethoxyphenyl)pyrazole-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-(4-chlorophenyl)-4-(2,4-dimethoxyphenyl)pyrazole-1-carboxamide
PubChem CID1299360
Molecular FormulaC18H17ClN4O3
Molecular Weight372.81 g/mol
Exact Mass372.10
IUPAC Name3-amino-N-(4-chlorophenyl)-4-(2,4-dimethoxyphenyl)pyrazole-1-carboxamide
SMILESCOc1ccc(-c2cn(C(=O)Nc3ccc(Cl)cc3)nc2N)c(OC)c1
InChIInChI=1S/C18H17ClN4O3/c1-25-13-7-8-14(16(9-13)26-2)15-10-23(22-17(15)20)18(24)21-12-5-3-11(19)4-6-12/h3-10H,1-2H3,(H2,20,22)(H,21,24)
InChIKeyCLOBEBOKQRDRHW-UHFFFAOYSA-N
XLogP3.88
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.81
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-chlorophenyl)-4-(2,4-dimethoxyphenyl)pyrazole-1-carboxamide?
The IUPAC name of 3-amino-N-(4-chlorophenyl)-4-(2,4-dimethoxyphenyl)pyrazole-1-carboxamide (CID 1299360) is 3-amino-N-(4-chlorophenyl)-4-(2,4-dimethoxyphenyl)pyrazole-1-carboxamide.
What is the SMILES notation for 3-amino-N-(4-chlorophenyl)-4-(2,4-dimethoxyphenyl)pyrazole-1-carboxamide?
The canonical SMILES for 3-amino-N-(4-chlorophenyl)-4-(2,4-dimethoxyphenyl)pyrazole-1-carboxamide is COc1ccc(-c2cn(C(=O)Nc3ccc(Cl)cc3)nc2N)c(OC)c1.
What is the InChIKey of 3-amino-N-(4-chlorophenyl)-4-(2,4-dimethoxyphenyl)pyrazole-1-carboxamide?
The InChIKey is CLOBEBOKQRDRHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O3/c1-25-13-7-8-14(16(9-13)26-2)15-10-23(22-17(15)20)18(24)21-12-5-3-11(19)4-6-12/h3-10H,1-2H3,(H2,20,22)(H,21,24).
What are the key properties of 3-amino-N-(4-chlorophenyl)-4-(2,4-dimethoxyphenyl)pyrazole-1-carboxamide?
3-amino-N-(4-chlorophenyl)-4-(2,4-dimethoxyphenyl)pyrazole-1-carboxamide has a molecular weight of 372.81 g/mol, XLogP of 3.88, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-chlorophenyl)-4-(2,4-dimethoxyphenyl)pyrazole-1-carboxamide is sourced from PubChem (CID 1299360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).