1-[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-methylmethanamine

C19H25N5 — CID 42518977

IUPAC1-[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-methylmethanamine
SMILESCc1ccc(-c2[nH]ncc2CN(C)Cc2c(C)n[nH]c2C)cc1C
InChIInChI=1S/C19H25N5/c1-12-6-7-16(8-13(12)2)19-17(9-20-23-19)10-24(5)11-18-14(3)21-22-15(18)4/h6-9H,10-11H2,1-5H3,(H,20,23)(H,21,22)
InChIKeyUAZIBIMFPFJZKP-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.67
Rot. Bonds5

About 1-[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-methylmethanamine

1-[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-methylmethanamine (PubChem CID 42518977) has the molecular formula C19H25N5 and a molecular weight of 323.44 g/mol. Its IUPAC name is 1-[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-methylmethanamine
PubChem CID42518977
Molecular FormulaC19H25N5
Molecular Weight323.44 g/mol
Exact Mass323.21
IUPAC Name1-[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-methylmethanamine
SMILESCc1ccc(-c2[nH]ncc2CN(C)Cc2c(C)n[nH]c2C)cc1C
InChIInChI=1S/C19H25N5/c1-12-6-7-16(8-13(12)2)19-17(9-20-23-19)10-24(5)11-18-14(3)21-22-15(18)4/h6-9H,10-11H2,1-5H3,(H,20,23)(H,21,22)
InChIKeyUAZIBIMFPFJZKP-UHFFFAOYSA-N
XLogP3.67
TPSA60.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-methylmethanamine?
The IUPAC name of 1-[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-methylmethanamine (CID 42518977) is 1-[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-methylmethanamine?
The canonical SMILES for 1-[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-methylmethanamine is Cc1ccc(-c2[nH]ncc2CN(C)Cc2c(C)n[nH]c2C)cc1C.
What is the InChIKey of 1-[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-methylmethanamine?
The InChIKey is UAZIBIMFPFJZKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5/c1-12-6-7-16(8-13(12)2)19-17(9-20-23-19)10-24(5)11-18-14(3)21-22-15(18)4/h6-9H,10-11H2,1-5H3,(H,20,23)(H,21,22).
What are the key properties of 1-[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-methylmethanamine?
1-[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-methylmethanamine has a molecular weight of 323.44 g/mol, XLogP of 3.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-methylmethanamine is sourced from PubChem (CID 42518977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).