4-[(5-amino-3-methyl-1-phenylpyrazol-4-yl)-(3-methylphenyl)methyl]-3-methyl-1-phenylpyrazol-5-amine

C28H28N6 — CID 4121801

IUPAC4-[(5-amino-3-methyl-1-phenylpyrazol-4-yl)-(3-methylphenyl)methyl]-3-methyl-1-phenylpyrazol-5-amine
SMILESCc1cccc(C(c2c(C)nn(-c3ccccc3)c2N)c2c(C)nn(-c3ccccc3)c2N)c1
InChIInChI=1S/C28H28N6/c1-18-11-10-12-21(17-18)26(24-19(2)31-33(27(24)29)22-13-6-4-7-14-22)25-20(3)32-34(28(25)30)23-15-8-5-9-16-23/h4-17,26H,29-30H2,1-3H3
InChIKeyJYRCIXJJNMPTAS-UHFFFAOYSA-N
MW448.57 g/mol
LogP5.33
Rot. Bonds5

About 4-[(5-amino-3-methyl-1-phenylpyrazol-4-yl)-(3-methylphenyl)methyl]-3-methyl-1-phenylpyrazol-5-amine

4-[(5-amino-3-methyl-1-phenylpyrazol-4-yl)-(3-methylphenyl)methyl]-3-methyl-1-phenylpyrazol-5-amine (PubChem CID 4121801) has the molecular formula C28H28N6 and a molecular weight of 448.57 g/mol. Its IUPAC name is 4-[(5-amino-3-methyl-1-phenylpyrazol-4-yl)-(3-methylphenyl)methyl]-3-methyl-1-phenylpyrazol-5-amine.

Molecular Properties

Compound Name4-[(5-amino-3-methyl-1-phenylpyrazol-4-yl)-(3-methylphenyl)methyl]-3-methyl-1-phenylpyrazol-5-amine
PubChem CID4121801
Molecular FormulaC28H28N6
Molecular Weight448.57 g/mol
Exact Mass448.24
IUPAC Name4-[(5-amino-3-methyl-1-phenylpyrazol-4-yl)-(3-methylphenyl)methyl]-3-methyl-1-phenylpyrazol-5-amine
SMILESCc1cccc(C(c2c(C)nn(-c3ccccc3)c2N)c2c(C)nn(-c3ccccc3)c2N)c1
InChIInChI=1S/C28H28N6/c1-18-11-10-12-21(17-18)26(24-19(2)31-33(27(24)29)22-13-6-4-7-14-22)25-20(3)32-34(28(25)30)23-15-8-5-9-16-23/h4-17,26H,29-30H2,1-3H3
InChIKeyJYRCIXJJNMPTAS-UHFFFAOYSA-N
XLogP5.33
TPSA87.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.57
LogP ≤ 55.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Pyrazole, 5-amino-3-(p-aminophenyl)-1-phenyl-
CID 202779
3-Methyl-1,4-diphenyl-1H-pyrazol-5-amine
CID 619285
1,3-Diphenyl-1H-pyrazol-5-amine
CID 199969
1-(4-Fluorophenyl)-3-(4-methylphenyl)-1H-pyrazol-5-amine
CID 1478026
3-(3-Methylphenyl)-1-phenyl-1H-pyrazol-5-ylamine
CID 2060622
3-(4-ethylphenyl)-1-phenyl-1H-pyrazol-5-amine
CID 2517678
3-methyl-1-(4-nitrophenyl)-4-phenyl-1H-pyrazol-5-amine
CID 1263645
4-(3-methylphenyl)-1-phenyl-1H-pyrazol-5-ylamine
CID 2764841
3-(4-Methylphenyl)-1-phenyl-1H-pyrazol-5-amine
CID 854142
1,3-Bis(4-methylphenyl)-1H-pyrazol-5-amine
CID 800457
1-(3,5-dimethylphenyl)-3-methyl-1H-pyrazol-5-amine
CID 2415595
3-amino-5-imino-1-phenyl-1,5-dihydro-4H-pyrazol-4-one (4-methylphenyl)hydrazone
CID 228624

Frequently Asked Questions

What is the IUPAC name of 4-[(5-amino-3-methyl-1-phenylpyrazol-4-yl)-(3-methylphenyl)methyl]-3-methyl-1-phenylpyrazol-5-amine?
The IUPAC name of 4-[(5-amino-3-methyl-1-phenylpyrazol-4-yl)-(3-methylphenyl)methyl]-3-methyl-1-phenylpyrazol-5-amine (CID 4121801) is 4-[(5-amino-3-methyl-1-phenylpyrazol-4-yl)-(3-methylphenyl)methyl]-3-methyl-1-phenylpyrazol-5-amine.
What is the SMILES notation for 4-[(5-amino-3-methyl-1-phenylpyrazol-4-yl)-(3-methylphenyl)methyl]-3-methyl-1-phenylpyrazol-5-amine?
The canonical SMILES for 4-[(5-amino-3-methyl-1-phenylpyrazol-4-yl)-(3-methylphenyl)methyl]-3-methyl-1-phenylpyrazol-5-amine is Cc1cccc(C(c2c(C)nn(-c3ccccc3)c2N)c2c(C)nn(-c3ccccc3)c2N)c1.
What is the InChIKey of 4-[(5-amino-3-methyl-1-phenylpyrazol-4-yl)-(3-methylphenyl)methyl]-3-methyl-1-phenylpyrazol-5-amine?
The InChIKey is JYRCIXJJNMPTAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N6/c1-18-11-10-12-21(17-18)26(24-19(2)31-33(27(24)29)22-13-6-4-7-14-22)25-20(3)32-34(28(25)30)23-15-8-5-9-16-23/h4-17,26H,29-30H2,1-3H3.
What are the key properties of 4-[(5-amino-3-methyl-1-phenylpyrazol-4-yl)-(3-methylphenyl)methyl]-3-methyl-1-phenylpyrazol-5-amine?
4-[(5-amino-3-methyl-1-phenylpyrazol-4-yl)-(3-methylphenyl)methyl]-3-methyl-1-phenylpyrazol-5-amine has a molecular weight of 448.57 g/mol, XLogP of 5.33, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-amino-3-methyl-1-phenylpyrazol-4-yl)-(3-methylphenyl)methyl]-3-methyl-1-phenylpyrazol-5-amine is sourced from PubChem (CID 4121801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).