N-[4-(diethylamino)-2-methylphenyl]-5-methyl-1-phenylpyrazole-4-carboxamide

C22H26N4O — CID 108791923

IUPACN-[4-(diethylamino)-2-methylphenyl]-5-methyl-1-phenylpyrazole-4-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2cnn(-c3ccccc3)c2C)c(C)c1
InChIInChI=1S/C22H26N4O/c1-5-25(6-2)19-12-13-21(16(3)14-19)24-22(27)20-15-23-26(17(20)4)18-10-8-7-9-11-18/h7-15H,5-6H2,1-4H3,(H,24,27)
InChIKeyNHROKMXBTMFCQH-UHFFFAOYSA-N
MW362.48 g/mol
LogP4.59
Rot. Bonds6

About N-[4-(diethylamino)-2-methylphenyl]-5-methyl-1-phenylpyrazole-4-carboxamide

N-[4-(diethylamino)-2-methylphenyl]-5-methyl-1-phenylpyrazole-4-carboxamide (PubChem CID 108791923) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is N-[4-(diethylamino)-2-methylphenyl]-5-methyl-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(diethylamino)-2-methylphenyl]-5-methyl-1-phenylpyrazole-4-carboxamide
PubChem CID108791923
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC NameN-[4-(diethylamino)-2-methylphenyl]-5-methyl-1-phenylpyrazole-4-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2cnn(-c3ccccc3)c2C)c(C)c1
InChIInChI=1S/C22H26N4O/c1-5-25(6-2)19-12-13-21(16(3)14-19)24-22(27)20-15-23-26(17(20)4)18-10-8-7-9-11-18/h7-15H,5-6H2,1-4H3,(H,24,27)
InChIKeyNHROKMXBTMFCQH-UHFFFAOYSA-N
XLogP4.59
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(2,5-dimethylphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 850670
2-[(5-methyl-1-phenylpyrazole-4-carbonyl)amino]benzoic acid
CID 108804246
ethyl 2-[(5-methyl-1-phenylpyrazole-4-carbonyl)amino]benzoate
CID 38074348
methyl 2-[[4-(diethylamino)-2-methylphenyl]carbamoyl]benzoate
CID 108785560
N-(5-acetamido-2-methylphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 108791901
N-[4-(4-cyanophenoxy)-2-methylphenyl]-5-methyl-1-phenylpyrazole-4-carboxamide
CID 60578238
2-[4-hydroxy-3-[(5-methyl-1-phenylpyrazole-4-carbonyl)amino]phenyl]acetic acid
CID 108741734
N-(4,6-dimethylpyrimidin-2-yl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 108804181
1-[4-(diethylamino)-2-methylphenyl]-3-phenylurea
CID 46859691
N-(5-tert-butyl-2-hydroxyphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 86912856
1-acetyl-N-[4-(diethylamino)-2-methylphenyl]indole-3-carboxamide
CID 113208003
N-[4-(diethylamino)-2-methylphenyl]-N'-ethyl-N'-phenyloxamide
CID 108518693

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)-2-methylphenyl]-5-methyl-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-[4-(diethylamino)-2-methylphenyl]-5-methyl-1-phenylpyrazole-4-carboxamide (CID 108791923) is N-[4-(diethylamino)-2-methylphenyl]-5-methyl-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-[4-(diethylamino)-2-methylphenyl]-5-methyl-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-[4-(diethylamino)-2-methylphenyl]-5-methyl-1-phenylpyrazole-4-carboxamide is CCN(CC)c1ccc(NC(=O)c2cnn(-c3ccccc3)c2C)c(C)c1.
What is the InChIKey of N-[4-(diethylamino)-2-methylphenyl]-5-methyl-1-phenylpyrazole-4-carboxamide?
The InChIKey is NHROKMXBTMFCQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O/c1-5-25(6-2)19-12-13-21(16(3)14-19)24-22(27)20-15-23-26(17(20)4)18-10-8-7-9-11-18/h7-15H,5-6H2,1-4H3,(H,24,27).
What are the key properties of N-[4-(diethylamino)-2-methylphenyl]-5-methyl-1-phenylpyrazole-4-carboxamide?
N-[4-(diethylamino)-2-methylphenyl]-5-methyl-1-phenylpyrazole-4-carboxamide has a molecular weight of 362.48 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)-2-methylphenyl]-5-methyl-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 108791923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).