N,N-bis[(3,5-dimethylpyrazol-1-yl)methyl]-1-phenylmethanamine

C19H25N5 — CID 2755344

IUPACN,N-bis[(3,5-dimethylpyrazol-1-yl)methyl]-1-phenylmethanamine
SMILESCc1cc(C)n(CN(Cc2ccccc2)Cn2nc(C)cc2C)n1
InChIInChI=1S/C19H25N5/c1-15-10-17(3)23(20-15)13-22(12-19-8-6-5-7-9-19)14-24-18(4)11-16(2)21-24/h5-11H,12-14H2,1-4H3
InChIKeyVFYVMLJDHYLKBD-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.43
Rot. Bonds6

About N,N-bis[(3,5-dimethylpyrazol-1-yl)methyl]-1-phenylmethanamine

N,N-bis[(3,5-dimethylpyrazol-1-yl)methyl]-1-phenylmethanamine (PubChem CID 2755344) has the molecular formula C19H25N5 and a molecular weight of 323.44 g/mol. Its IUPAC name is N,N-bis[(3,5-dimethylpyrazol-1-yl)methyl]-1-phenylmethanamine.

Molecular Properties

Compound NameN,N-bis[(3,5-dimethylpyrazol-1-yl)methyl]-1-phenylmethanamine
PubChem CID2755344
Molecular FormulaC19H25N5
Molecular Weight323.44 g/mol
Exact Mass323.21
IUPAC NameN,N-bis[(3,5-dimethylpyrazol-1-yl)methyl]-1-phenylmethanamine
SMILESCc1cc(C)n(CN(Cc2ccccc2)Cn2nc(C)cc2C)n1
InChIInChI=1S/C19H25N5/c1-15-10-17(3)23(20-15)13-22(12-19-8-6-5-7-9-19)14-24-18(4)11-16(2)21-24/h5-11H,12-14H2,1-4H3
InChIKeyVFYVMLJDHYLKBD-UHFFFAOYSA-N
XLogP3.43
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-bis[(3,5-dimethylpyrazol-1-yl)methyl]-1-phenylmethanamine?
The IUPAC name of N,N-bis[(3,5-dimethylpyrazol-1-yl)methyl]-1-phenylmethanamine (CID 2755344) is N,N-bis[(3,5-dimethylpyrazol-1-yl)methyl]-1-phenylmethanamine.
What is the SMILES notation for N,N-bis[(3,5-dimethylpyrazol-1-yl)methyl]-1-phenylmethanamine?
The canonical SMILES for N,N-bis[(3,5-dimethylpyrazol-1-yl)methyl]-1-phenylmethanamine is Cc1cc(C)n(CN(Cc2ccccc2)Cn2nc(C)cc2C)n1.
What is the InChIKey of N,N-bis[(3,5-dimethylpyrazol-1-yl)methyl]-1-phenylmethanamine?
The InChIKey is VFYVMLJDHYLKBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5/c1-15-10-17(3)23(20-15)13-22(12-19-8-6-5-7-9-19)14-24-18(4)11-16(2)21-24/h5-11H,12-14H2,1-4H3.
What are the key properties of N,N-bis[(3,5-dimethylpyrazol-1-yl)methyl]-1-phenylmethanamine?
N,N-bis[(3,5-dimethylpyrazol-1-yl)methyl]-1-phenylmethanamine has a molecular weight of 323.44 g/mol, XLogP of 3.43, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[(3,5-dimethylpyrazol-1-yl)methyl]-1-phenylmethanamine is sourced from PubChem (CID 2755344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).