N,5-bis(4-chlorophenyl)-N-methyl-3,4-dihydropyrazole-2-carboxamide

C17H15Cl2N3O — CID 3047054

IUPACN,5-bis(4-chlorophenyl)-N-methyl-3,4-dihydropyrazole-2-carboxamide
SMILESCN(C(=O)N1CCC(c2ccc(Cl)cc2)=N1)c1ccc(Cl)cc1
InChIInChI=1S/C17H15Cl2N3O/c1-21(15-8-6-14(19)7-9-15)17(23)22-11-10-16(20-22)12-2-4-13(18)5-3-12/h2-9H,10-11H2,1H3
InChIKeyNQFIXFDBSNMPSS-UHFFFAOYSA-N
MW348.23 g/mol
LogP4.66
Rot. Bonds2

About N,5-bis(4-chlorophenyl)-N-methyl-3,4-dihydropyrazole-2-carboxamide

N,5-bis(4-chlorophenyl)-N-methyl-3,4-dihydropyrazole-2-carboxamide (PubChem CID 3047054) has the molecular formula C17H15Cl2N3O and a molecular weight of 348.23 g/mol. Its IUPAC name is N,5-bis(4-chlorophenyl)-N-methyl-3,4-dihydropyrazole-2-carboxamide.

Molecular Properties

Compound NameN,5-bis(4-chlorophenyl)-N-methyl-3,4-dihydropyrazole-2-carboxamide
PubChem CID3047054
Molecular FormulaC17H15Cl2N3O
Molecular Weight348.23 g/mol
Exact Mass347.06
IUPAC NameN,5-bis(4-chlorophenyl)-N-methyl-3,4-dihydropyrazole-2-carboxamide
SMILESCN(C(=O)N1CCC(c2ccc(Cl)cc2)=N1)c1ccc(Cl)cc1
InChIInChI=1S/C17H15Cl2N3O/c1-21(15-8-6-14(19)7-9-15)17(23)22-11-10-16(20-22)12-2-4-13(18)5-3-12/h2-9H,10-11H2,1H3
InChIKeyNQFIXFDBSNMPSS-UHFFFAOYSA-N
XLogP4.66
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.23
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,5-bis(4-chlorophenyl)-N-methyl-3,4-dihydropyrazole-2-carboxamide?
The IUPAC name of N,5-bis(4-chlorophenyl)-N-methyl-3,4-dihydropyrazole-2-carboxamide (CID 3047054) is N,5-bis(4-chlorophenyl)-N-methyl-3,4-dihydropyrazole-2-carboxamide.
What is the SMILES notation for N,5-bis(4-chlorophenyl)-N-methyl-3,4-dihydropyrazole-2-carboxamide?
The canonical SMILES for N,5-bis(4-chlorophenyl)-N-methyl-3,4-dihydropyrazole-2-carboxamide is CN(C(=O)N1CCC(c2ccc(Cl)cc2)=N1)c1ccc(Cl)cc1.
What is the InChIKey of N,5-bis(4-chlorophenyl)-N-methyl-3,4-dihydropyrazole-2-carboxamide?
The InChIKey is NQFIXFDBSNMPSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2N3O/c1-21(15-8-6-14(19)7-9-15)17(23)22-11-10-16(20-22)12-2-4-13(18)5-3-12/h2-9H,10-11H2,1H3.
What are the key properties of N,5-bis(4-chlorophenyl)-N-methyl-3,4-dihydropyrazole-2-carboxamide?
N,5-bis(4-chlorophenyl)-N-methyl-3,4-dihydropyrazole-2-carboxamide has a molecular weight of 348.23 g/mol, XLogP of 4.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-bis(4-chlorophenyl)-N-methyl-3,4-dihydropyrazole-2-carboxamide is sourced from PubChem (CID 3047054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).