1,3-dimethyl-N-[2-[4-(1-nitrosoethyl)phenyl]phenyl]pyrazole-4-carboxamide

C20H20N4O2 — CID 91318500

IUPAC1,3-dimethyl-N-[2-[4-(1-nitrosoethyl)phenyl]phenyl]pyrazole-4-carboxamide
SMILESCc1nn(C)cc1C(=O)Nc1ccccc1-c1ccc(C(C)N=O)cc1
InChIInChI=1S/C20H20N4O2/c1-13(23-26)15-8-10-16(11-9-15)17-6-4-5-7-19(17)21-20(25)18-12-24(3)22-14(18)2/h4-13H,1-3H3,(H,21,25)
InChIKeyNNGHRYRLXXDYTK-UHFFFAOYSA-N
MW348.41 g/mol
LogP4.48
Rot. Bonds5

About 1,3-dimethyl-N-[2-[4-(1-nitrosoethyl)phenyl]phenyl]pyrazole-4-carboxamide

1,3-dimethyl-N-[2-[4-(1-nitrosoethyl)phenyl]phenyl]pyrazole-4-carboxamide (PubChem CID 91318500) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 1,3-dimethyl-N-[2-[4-(1-nitrosoethyl)phenyl]phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1,3-dimethyl-N-[2-[4-(1-nitrosoethyl)phenyl]phenyl]pyrazole-4-carboxamide
PubChem CID91318500
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name1,3-dimethyl-N-[2-[4-(1-nitrosoethyl)phenyl]phenyl]pyrazole-4-carboxamide
SMILESCc1nn(C)cc1C(=O)Nc1ccccc1-c1ccc(C(C)N=O)cc1
InChIInChI=1S/C20H20N4O2/c1-13(23-26)15-8-10-16(11-9-15)17-6-4-5-7-19(17)21-20(25)18-12-24(3)22-14(18)2/h4-13H,1-3H3,(H,21,25)
InChIKeyNNGHRYRLXXDYTK-UHFFFAOYSA-N
XLogP4.48
TPSA76.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-chlorophenyl)phenyl]-1,3-dimethylpyrazole-4-carboxamide;ethane
CID 143363894
1,3-dimethyl-N-[2-[4-[(Z)-propoxyiminomethyl]phenyl]phenyl]pyrazole-4-carboxamide
CID 142109331
N-(2-fluorophenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 45285304
3-(difluoromethyl)-N-[2-(4-iodophenyl)phenyl]-1-methylpyrazole-4-carboxamide
CID 66920609
N-[2-(3,4-dichlorophenyl)phenyl]-3-iodo-1-methylpyrazole-4-carboxamide
CID 11454250
N-(2,5-dimethylphenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 19474851
N-(2-ethoxyphenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 42352848
N-(2,3-dichloro-4-fluoro-6-phenylphenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 123339665
1,3-dimethyl-N-[4-[1-(methylamino)ethyl]phenyl]pyrazole-4-carboxamide
CID 102801381
3-[dichloro(fluoro)methyl]-N-[2-(3,4-dichlorophenyl)phenyl]-1-methylpyrazole-4-carboxamide
CID 67374092
N-[(1R)-2-hydroxy-1-phenylethyl]-1,3-dimethylpyrazole-4-carboxamide
CID 103772742
3-[(1,3-dimethylpyrazole-4-carbonyl)amino]naphthalene-2-carboxylic acid
CID 75513355

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-[2-[4-(1-nitrosoethyl)phenyl]phenyl]pyrazole-4-carboxamide?
The IUPAC name of 1,3-dimethyl-N-[2-[4-(1-nitrosoethyl)phenyl]phenyl]pyrazole-4-carboxamide (CID 91318500) is 1,3-dimethyl-N-[2-[4-(1-nitrosoethyl)phenyl]phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1,3-dimethyl-N-[2-[4-(1-nitrosoethyl)phenyl]phenyl]pyrazole-4-carboxamide?
The canonical SMILES for 1,3-dimethyl-N-[2-[4-(1-nitrosoethyl)phenyl]phenyl]pyrazole-4-carboxamide is Cc1nn(C)cc1C(=O)Nc1ccccc1-c1ccc(C(C)N=O)cc1.
What is the InChIKey of 1,3-dimethyl-N-[2-[4-(1-nitrosoethyl)phenyl]phenyl]pyrazole-4-carboxamide?
The InChIKey is NNGHRYRLXXDYTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-13(23-26)15-8-10-16(11-9-15)17-6-4-5-7-19(17)21-20(25)18-12-24(3)22-14(18)2/h4-13H,1-3H3,(H,21,25).
What are the key properties of 1,3-dimethyl-N-[2-[4-(1-nitrosoethyl)phenyl]phenyl]pyrazole-4-carboxamide?
1,3-dimethyl-N-[2-[4-(1-nitrosoethyl)phenyl]phenyl]pyrazole-4-carboxamide has a molecular weight of 348.41 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-[2-[4-(1-nitrosoethyl)phenyl]phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 91318500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).