N-(2,6-dichlorophenyl)-1-methyl-3-(morpholine-4-carbonyl)pyrazole-5-carboxamide

C16H16Cl2N4O3 — CID 19615300

IUPACN-(2,6-dichlorophenyl)-1-methyl-3-(morpholine-4-carbonyl)pyrazole-5-carboxamide
SMILESCn1nc(C(=O)N2CCOCC2)cc1C(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C16H16Cl2N4O3/c1-21-13(15(23)19-14-10(17)3-2-4-11(14)18)9-12(20-21)16(24)22-5-7-25-8-6-22/h2-4,9H,5-8H2,1H3,(H,19,23)
InChIKeyKMTFWXVRKWEYNO-UHFFFAOYSA-N
MW383.24 g/mol
LogP2.45
Rot. Bonds3

About N-(2,6-dichlorophenyl)-1-methyl-3-(morpholine-4-carbonyl)pyrazole-5-carboxamide

N-(2,6-dichlorophenyl)-1-methyl-3-(morpholine-4-carbonyl)pyrazole-5-carboxamide (PubChem CID 19615300) has the molecular formula C16H16Cl2N4O3 and a molecular weight of 383.24 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-1-methyl-3-(morpholine-4-carbonyl)pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-1-methyl-3-(morpholine-4-carbonyl)pyrazole-5-carboxamide
PubChem CID19615300
Molecular FormulaC16H16Cl2N4O3
Molecular Weight383.24 g/mol
Exact Mass382.06
IUPAC NameN-(2,6-dichlorophenyl)-1-methyl-3-(morpholine-4-carbonyl)pyrazole-5-carboxamide
SMILESCn1nc(C(=O)N2CCOCC2)cc1C(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C16H16Cl2N4O3/c1-21-13(15(23)19-14-10(17)3-2-4-11(14)18)9-12(20-21)16(24)22-5-7-25-8-6-22/h2-4,9H,5-8H2,1H3,(H,19,23)
InChIKeyKMTFWXVRKWEYNO-UHFFFAOYSA-N
XLogP2.45
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.24
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-1-methyl-3-(morpholine-4-carbonyl)pyrazole-5-carboxamide?
The IUPAC name of N-(2,6-dichlorophenyl)-1-methyl-3-(morpholine-4-carbonyl)pyrazole-5-carboxamide (CID 19615300) is N-(2,6-dichlorophenyl)-1-methyl-3-(morpholine-4-carbonyl)pyrazole-5-carboxamide.
What is the SMILES notation for N-(2,6-dichlorophenyl)-1-methyl-3-(morpholine-4-carbonyl)pyrazole-5-carboxamide?
The canonical SMILES for N-(2,6-dichlorophenyl)-1-methyl-3-(morpholine-4-carbonyl)pyrazole-5-carboxamide is Cn1nc(C(=O)N2CCOCC2)cc1C(=O)Nc1c(Cl)cccc1Cl.
What is the InChIKey of N-(2,6-dichlorophenyl)-1-methyl-3-(morpholine-4-carbonyl)pyrazole-5-carboxamide?
The InChIKey is KMTFWXVRKWEYNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N4O3/c1-21-13(15(23)19-14-10(17)3-2-4-11(14)18)9-12(20-21)16(24)22-5-7-25-8-6-22/h2-4,9H,5-8H2,1H3,(H,19,23).
What are the key properties of N-(2,6-dichlorophenyl)-1-methyl-3-(morpholine-4-carbonyl)pyrazole-5-carboxamide?
N-(2,6-dichlorophenyl)-1-methyl-3-(morpholine-4-carbonyl)pyrazole-5-carboxamide has a molecular weight of 383.24 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-1-methyl-3-(morpholine-4-carbonyl)pyrazole-5-carboxamide is sourced from PubChem (CID 19615300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).