N-methyl-1-[3-methyl-5-(3-methylpyrazol-1-yl)-1-phenylpyrazol-4-yl]methanamine

C16H19N5 — CID 62489516

IUPACN-methyl-1-[3-methyl-5-(3-methylpyrazol-1-yl)-1-phenylpyrazol-4-yl]methanamine
SMILESCNCc1c(C)nn(-c2ccccc2)c1-n1ccc(C)n1
InChIInChI=1S/C16H19N5/c1-12-9-10-20(18-12)16-15(11-17-3)13(2)19-21(16)14-7-5-4-6-8-14/h4-10,17H,11H2,1-3H3
InChIKeyIJHHYRYUEMLNII-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.39
Rot. Bonds4

About N-methyl-1-[3-methyl-5-(3-methylpyrazol-1-yl)-1-phenylpyrazol-4-yl]methanamine

N-methyl-1-[3-methyl-5-(3-methylpyrazol-1-yl)-1-phenylpyrazol-4-yl]methanamine (PubChem CID 62489516) has the molecular formula C16H19N5 and a molecular weight of 281.36 g/mol. Its IUPAC name is N-methyl-1-[3-methyl-5-(3-methylpyrazol-1-yl)-1-phenylpyrazol-4-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[3-methyl-5-(3-methylpyrazol-1-yl)-1-phenylpyrazol-4-yl]methanamine
PubChem CID62489516
Molecular FormulaC16H19N5
Molecular Weight281.36 g/mol
Exact Mass281.16
IUPAC NameN-methyl-1-[3-methyl-5-(3-methylpyrazol-1-yl)-1-phenylpyrazol-4-yl]methanamine
SMILESCNCc1c(C)nn(-c2ccccc2)c1-n1ccc(C)n1
InChIInChI=1S/C16H19N5/c1-12-9-10-20(18-12)16-15(11-17-3)13(2)19-21(16)14-7-5-4-6-8-14/h4-10,17H,11H2,1-3H3
InChIKeyIJHHYRYUEMLNII-UHFFFAOYSA-N
XLogP2.39
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-methyl-5-(3-methylpyrazol-1-yl)-1-phenylpyrazol-4-yl]methanamine?
The IUPAC name of N-methyl-1-[3-methyl-5-(3-methylpyrazol-1-yl)-1-phenylpyrazol-4-yl]methanamine (CID 62489516) is N-methyl-1-[3-methyl-5-(3-methylpyrazol-1-yl)-1-phenylpyrazol-4-yl]methanamine.
What is the SMILES notation for N-methyl-1-[3-methyl-5-(3-methylpyrazol-1-yl)-1-phenylpyrazol-4-yl]methanamine?
The canonical SMILES for N-methyl-1-[3-methyl-5-(3-methylpyrazol-1-yl)-1-phenylpyrazol-4-yl]methanamine is CNCc1c(C)nn(-c2ccccc2)c1-n1ccc(C)n1.
What is the InChIKey of N-methyl-1-[3-methyl-5-(3-methylpyrazol-1-yl)-1-phenylpyrazol-4-yl]methanamine?
The InChIKey is IJHHYRYUEMLNII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5/c1-12-9-10-20(18-12)16-15(11-17-3)13(2)19-21(16)14-7-5-4-6-8-14/h4-10,17H,11H2,1-3H3.
What are the key properties of N-methyl-1-[3-methyl-5-(3-methylpyrazol-1-yl)-1-phenylpyrazol-4-yl]methanamine?
N-methyl-1-[3-methyl-5-(3-methylpyrazol-1-yl)-1-phenylpyrazol-4-yl]methanamine has a molecular weight of 281.36 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-methyl-5-(3-methylpyrazol-1-yl)-1-phenylpyrazol-4-yl]methanamine is sourced from PubChem (CID 62489516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).