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

C14H16ClN3O3 — CID 43582490

IUPACN-(5-chloro-2,4-dimethoxyphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
SMILESCOc1cc(OC)c(NC(=O)c2c(C)n[nH]c2C)cc1Cl
InChIInChI=1S/C14H16ClN3O3/c1-7-13(8(2)18-17-7)14(19)16-10-5-9(15)11(20-3)6-12(10)21-4/h5-6H,1-4H3,(H,16,19)(H,17,18)
InChIKeyAXYSFQVVVQLWRW-UHFFFAOYSA-N
MW309.75 g/mol
LogP2.95
Rot. Bonds4

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

N-(5-chloro-2,4-dimethoxyphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide (PubChem CID 43582490) has the molecular formula C14H16ClN3O3 and a molecular weight of 309.75 g/mol. Its IUPAC name is N-(5-chloro-2,4-dimethoxyphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2,4-dimethoxyphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
PubChem CID43582490
Molecular FormulaC14H16ClN3O3
Molecular Weight309.75 g/mol
Exact Mass309.09
IUPAC NameN-(5-chloro-2,4-dimethoxyphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
SMILESCOc1cc(OC)c(NC(=O)c2c(C)n[nH]c2C)cc1Cl
InChIInChI=1S/C14H16ClN3O3/c1-7-13(8(2)18-17-7)14(19)16-10-5-9(15)11(20-3)6-12(10)21-4/h5-6H,1-4H3,(H,16,19)(H,17,18)
InChIKeyAXYSFQVVVQLWRW-UHFFFAOYSA-N
XLogP2.95
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.75
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide (CID 43582490) is N-(5-chloro-2,4-dimethoxyphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(5-chloro-2,4-dimethoxyphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(5-chloro-2,4-dimethoxyphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide is COc1cc(OC)c(NC(=O)c2c(C)n[nH]c2C)cc1Cl.
What is the InChIKey of N-(5-chloro-2,4-dimethoxyphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide?
The InChIKey is AXYSFQVVVQLWRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O3/c1-7-13(8(2)18-17-7)14(19)16-10-5-9(15)11(20-3)6-12(10)21-4/h5-6H,1-4H3,(H,16,19)(H,17,18).
What are the key properties of N-(5-chloro-2,4-dimethoxyphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide?
N-(5-chloro-2,4-dimethoxyphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide has a molecular weight of 309.75 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2,4-dimethoxyphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 43582490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).