1-(5-methyl-2-phenylpyrazol-3-yl)-N-[(5-methyl-2-phenylpyrazol-3-yl)methyl]methanamine

C22H23N5 — CID 78427163

IUPAC1-(5-methyl-2-phenylpyrazol-3-yl)-N-[(5-methyl-2-phenylpyrazol-3-yl)methyl]methanamine
SMILESCc1cc(CNCc2cc(C)nn2-c2ccccc2)n(-c2ccccc2)n1
InChIInChI=1S/C22H23N5/c1-17-13-21(26(24-17)19-9-5-3-6-10-19)15-23-16-22-14-18(2)25-27(22)20-11-7-4-8-12-20/h3-14,23H,15-16H2,1-2H3
InChIKeyIFXNTLVHYFNBDV-UHFFFAOYSA-N
MW357.46 g/mol
LogP3.96
Rot. Bonds6

About 1-(5-methyl-2-phenylpyrazol-3-yl)-N-[(5-methyl-2-phenylpyrazol-3-yl)methyl]methanamine

1-(5-methyl-2-phenylpyrazol-3-yl)-N-[(5-methyl-2-phenylpyrazol-3-yl)methyl]methanamine (PubChem CID 78427163) has the molecular formula C22H23N5 and a molecular weight of 357.46 g/mol. Its IUPAC name is 1-(5-methyl-2-phenylpyrazol-3-yl)-N-[(5-methyl-2-phenylpyrazol-3-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(5-methyl-2-phenylpyrazol-3-yl)-N-[(5-methyl-2-phenylpyrazol-3-yl)methyl]methanamine
PubChem CID78427163
Molecular FormulaC22H23N5
Molecular Weight357.46 g/mol
Exact Mass357.20
IUPAC Name1-(5-methyl-2-phenylpyrazol-3-yl)-N-[(5-methyl-2-phenylpyrazol-3-yl)methyl]methanamine
SMILESCc1cc(CNCc2cc(C)nn2-c2ccccc2)n(-c2ccccc2)n1
InChIInChI=1S/C22H23N5/c1-17-13-21(26(24-17)19-9-5-3-6-10-19)15-23-16-22-14-18(2)25-27(22)20-11-7-4-8-12-20/h3-14,23H,15-16H2,1-2H3
InChIKeyIFXNTLVHYFNBDV-UHFFFAOYSA-N
XLogP3.96
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-2-phenylpyrazol-3-yl)-N-[(5-methyl-2-phenylpyrazol-3-yl)methyl]methanamine?
The IUPAC name of 1-(5-methyl-2-phenylpyrazol-3-yl)-N-[(5-methyl-2-phenylpyrazol-3-yl)methyl]methanamine (CID 78427163) is 1-(5-methyl-2-phenylpyrazol-3-yl)-N-[(5-methyl-2-phenylpyrazol-3-yl)methyl]methanamine.
What is the SMILES notation for 1-(5-methyl-2-phenylpyrazol-3-yl)-N-[(5-methyl-2-phenylpyrazol-3-yl)methyl]methanamine?
The canonical SMILES for 1-(5-methyl-2-phenylpyrazol-3-yl)-N-[(5-methyl-2-phenylpyrazol-3-yl)methyl]methanamine is Cc1cc(CNCc2cc(C)nn2-c2ccccc2)n(-c2ccccc2)n1.
What is the InChIKey of 1-(5-methyl-2-phenylpyrazol-3-yl)-N-[(5-methyl-2-phenylpyrazol-3-yl)methyl]methanamine?
The InChIKey is IFXNTLVHYFNBDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5/c1-17-13-21(26(24-17)19-9-5-3-6-10-19)15-23-16-22-14-18(2)25-27(22)20-11-7-4-8-12-20/h3-14,23H,15-16H2,1-2H3.
What are the key properties of 1-(5-methyl-2-phenylpyrazol-3-yl)-N-[(5-methyl-2-phenylpyrazol-3-yl)methyl]methanamine?
1-(5-methyl-2-phenylpyrazol-3-yl)-N-[(5-methyl-2-phenylpyrazol-3-yl)methyl]methanamine has a molecular weight of 357.46 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-2-phenylpyrazol-3-yl)-N-[(5-methyl-2-phenylpyrazol-3-yl)methyl]methanamine is sourced from PubChem (CID 78427163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).