N-(2-methyl-4-nitrophenyl)-5-(4-pyrazol-1-ylphenyl)-1H-pyrazol-3-amine

C19H16N6O2 — CID 139392054

IUPACN-(2-methyl-4-nitrophenyl)-5-(4-pyrazol-1-ylphenyl)-1H-pyrazol-3-amine
SMILESCc1cc([N+](=O)[O-])ccc1Nc1cc(-c2ccc(-n3cccn3)cc2)[nH]n1
InChIInChI=1S/C19H16N6O2/c1-13-11-16(25(26)27)7-8-17(13)21-19-12-18(22-23-19)14-3-5-15(6-4-14)24-10-2-9-20-24/h2-12H,1H3,(H2,21,22,23)
InChIKeyQXMMHFMPQRIRIO-UHFFFAOYSA-N
MW360.38 g/mol
LogP4.22
Rot. Bonds5

About N-(2-methyl-4-nitrophenyl)-5-(4-pyrazol-1-ylphenyl)-1H-pyrazol-3-amine

N-(2-methyl-4-nitrophenyl)-5-(4-pyrazol-1-ylphenyl)-1H-pyrazol-3-amine (PubChem CID 139392054) has the molecular formula C19H16N6O2 and a molecular weight of 360.38 g/mol. Its IUPAC name is N-(2-methyl-4-nitrophenyl)-5-(4-pyrazol-1-ylphenyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound NameN-(2-methyl-4-nitrophenyl)-5-(4-pyrazol-1-ylphenyl)-1H-pyrazol-3-amine
PubChem CID139392054
Molecular FormulaC19H16N6O2
Molecular Weight360.38 g/mol
Exact Mass360.13
IUPAC NameN-(2-methyl-4-nitrophenyl)-5-(4-pyrazol-1-ylphenyl)-1H-pyrazol-3-amine
SMILESCc1cc([N+](=O)[O-])ccc1Nc1cc(-c2ccc(-n3cccn3)cc2)[nH]n1
InChIInChI=1S/C19H16N6O2/c1-13-11-16(25(26)27)7-8-17(13)21-19-12-18(22-23-19)14-3-5-15(6-4-14)24-10-2-9-20-24/h2-12H,1H3,(H2,21,22,23)
InChIKeyQXMMHFMPQRIRIO-UHFFFAOYSA-N
XLogP4.22
TPSA101.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.38
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(Z)-3-(2-methyl-4-nitroanilino)-3-methylsulfanyl-1-(4-pyrazol-1-ylphenyl)prop-2-en-1-one;N-(2-methyl-4-nitrophenyl)-5-(4-pyrazol-1-ylphenyl)-1H-pyrazol-3-amine
CID 159723159
4-methyl-N-[5-(4-pyrazol-1-ylphenyl)-1H-pyrazol-3-yl]-1H-benzimidazol-5-amine
CID 139402374
1-(2-methyl-5-nitrophenyl)pyrazole
CID 175295716
3-methyl-4-[[5-(4-piperidin-1-ylphenyl)-1H-pyrazol-3-yl]amino]phenol
CID 175799385
N-(2-methyl-4-nitrophenyl)pyrrol-1-amine
CID 79106363
N-(4-bromo-2-methylphenyl)-5-nitropyridin-2-amine
CID 4764031
8-chloro-N-(2-methyl-4-nitrophenyl)quinolin-4-amine
CID 43832735
1-(2-methoxy-4-nitrophenyl)-3-[(4-pyrazol-1-ylphenyl)methyl]thiourea
CID 2955309
2-methyl-5-nitro-N-(3-pyrazol-1-ylphenyl)benzenesulfonamide
CID 55700067
5-methyl-4-[(4-nitrophenyl)methyl]-2-(4-pyrazol-1-ylphenyl)-1,3-oxazole
CID 168994769
N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-5-nitropyridin-2-amine
CID 24623423
N-chloro-2-methyl-4-nitroaniline
CID 134879883

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-4-nitrophenyl)-5-(4-pyrazol-1-ylphenyl)-1H-pyrazol-3-amine?
The IUPAC name of N-(2-methyl-4-nitrophenyl)-5-(4-pyrazol-1-ylphenyl)-1H-pyrazol-3-amine (CID 139392054) is N-(2-methyl-4-nitrophenyl)-5-(4-pyrazol-1-ylphenyl)-1H-pyrazol-3-amine.
What is the SMILES notation for N-(2-methyl-4-nitrophenyl)-5-(4-pyrazol-1-ylphenyl)-1H-pyrazol-3-amine?
The canonical SMILES for N-(2-methyl-4-nitrophenyl)-5-(4-pyrazol-1-ylphenyl)-1H-pyrazol-3-amine is Cc1cc([N+](=O)[O-])ccc1Nc1cc(-c2ccc(-n3cccn3)cc2)[nH]n1.
What is the InChIKey of N-(2-methyl-4-nitrophenyl)-5-(4-pyrazol-1-ylphenyl)-1H-pyrazol-3-amine?
The InChIKey is QXMMHFMPQRIRIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O2/c1-13-11-16(25(26)27)7-8-17(13)21-19-12-18(22-23-19)14-3-5-15(6-4-14)24-10-2-9-20-24/h2-12H,1H3,(H2,21,22,23).
What are the key properties of N-(2-methyl-4-nitrophenyl)-5-(4-pyrazol-1-ylphenyl)-1H-pyrazol-3-amine?
N-(2-methyl-4-nitrophenyl)-5-(4-pyrazol-1-ylphenyl)-1H-pyrazol-3-amine has a molecular weight of 360.38 g/mol, XLogP of 4.22, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-4-nitrophenyl)-5-(4-pyrazol-1-ylphenyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 139392054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).