N-[5-amino-3-(4-methylanilino)-1H-pyrazol-4-yl]-4-methylbenzamide

C18H19N5O — CID 46299757

IUPACN-[5-amino-3-(4-methylanilino)-1H-pyrazol-4-yl]-4-methylbenzamide
SMILESCc1ccc(Nc2n[nH]c(N)c2NC(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C18H19N5O/c1-11-3-7-13(8-4-11)18(24)21-15-16(19)22-23-17(15)20-14-9-5-12(2)6-10-14/h3-10H,1-2H3,(H,21,24)(H4,19,20,22,23)
InChIKeyHHVMVNFDFIJWSB-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.60
Rot. Bonds4

About N-[5-amino-3-(4-methylanilino)-1H-pyrazol-4-yl]-4-methylbenzamide

N-[5-amino-3-(4-methylanilino)-1H-pyrazol-4-yl]-4-methylbenzamide (PubChem CID 46299757) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is N-[5-amino-3-(4-methylanilino)-1H-pyrazol-4-yl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[5-amino-3-(4-methylanilino)-1H-pyrazol-4-yl]-4-methylbenzamide
PubChem CID46299757
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC NameN-[5-amino-3-(4-methylanilino)-1H-pyrazol-4-yl]-4-methylbenzamide
SMILESCc1ccc(Nc2n[nH]c(N)c2NC(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C18H19N5O/c1-11-3-7-13(8-4-11)18(24)21-15-16(19)22-23-17(15)20-14-9-5-12(2)6-10-14/h3-10H,1-2H3,(H,21,24)(H4,19,20,22,23)
InChIKeyHHVMVNFDFIJWSB-UHFFFAOYSA-N
XLogP3.60
TPSA95.83 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-amino-2,6-dimethylphenyl)-4-methylbenzamide
CID 50880342
N'-[5-amino-6-(4-methylanilino)pyrimidin-4-yl]-4-methylbenzohydrazide
CID 19148584
4-carbamothioyl-N-(4-methylphenyl)benzamide
CID 24707290
4-methyl-N-[6-(4-methylanilino)-3-pyridinyl]benzamide
CID 113016330
N-[4-[(4-acetamidophenyl)carbamoyl]phenyl]-4-methylbenzamide
CID 2223178
N-(4-methylphenyl)-4-[2-[4-[(4-methylphenyl)carbamoyl]phenyl]hydrazinyl]benzamide
CID 139337158
5-(4-methylanilino)-2H-triazole-4-carboxamide
CID 45496899
N-(4-methylphenyl)-4-(trifluoromethyl)benzamide
CID 599447
4-amino-N-(4-methylphenyl)benzamide;methane;[4-[(4-methylphenyl)carbamoyl]phenyl]azanium;chloride;hydrochloride
CID 161049145
N-(4-methylphenyl)-4-(1H-pyrazol-4-yl)benzamide
CID 110464321
4-amino-N-(4-aminophenyl)benzamide;ethane;4-methylaniline;4-methyl-N-(4-methylphenyl)benzamide;(4-methylphenyl)methanone;tungsten
CID 159616090
N-[(4-aminophenyl)carbamothioyl]-4-methylbenzamide
CID 87562968

Frequently Asked Questions

What is the IUPAC name of N-[5-amino-3-(4-methylanilino)-1H-pyrazol-4-yl]-4-methylbenzamide?
The IUPAC name of N-[5-amino-3-(4-methylanilino)-1H-pyrazol-4-yl]-4-methylbenzamide (CID 46299757) is N-[5-amino-3-(4-methylanilino)-1H-pyrazol-4-yl]-4-methylbenzamide.
What is the SMILES notation for N-[5-amino-3-(4-methylanilino)-1H-pyrazol-4-yl]-4-methylbenzamide?
The canonical SMILES for N-[5-amino-3-(4-methylanilino)-1H-pyrazol-4-yl]-4-methylbenzamide is Cc1ccc(Nc2n[nH]c(N)c2NC(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of N-[5-amino-3-(4-methylanilino)-1H-pyrazol-4-yl]-4-methylbenzamide?
The InChIKey is HHVMVNFDFIJWSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c1-11-3-7-13(8-4-11)18(24)21-15-16(19)22-23-17(15)20-14-9-5-12(2)6-10-14/h3-10H,1-2H3,(H,21,24)(H4,19,20,22,23).
What are the key properties of N-[5-amino-3-(4-methylanilino)-1H-pyrazol-4-yl]-4-methylbenzamide?
N-[5-amino-3-(4-methylanilino)-1H-pyrazol-4-yl]-4-methylbenzamide has a molecular weight of 321.38 g/mol, XLogP of 3.60, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-amino-3-(4-methylanilino)-1H-pyrazol-4-yl]-4-methylbenzamide is sourced from PubChem (CID 46299757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).