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

C18H27N7 — CID 12820769

IUPAC1-(3,5-dimethylpyrazol-1-yl)-N,N-bis[(3,5-dimethylpyrazol-1-yl)methyl]methanamine
SMILESCc1cc(C)n(CN(Cn2nc(C)cc2C)Cn2nc(C)cc2C)n1
InChIInChI=1S/C18H27N7/c1-13-7-16(4)23(19-13)10-22(11-24-17(5)8-14(2)20-24)12-25-18(6)9-15(3)21-25/h7-9H,10-12H2,1-6H3
InChIKeyCKOXCUVKBSOQLB-UHFFFAOYSA-N
MW341.46 g/mol
LogP2.70
Rot. Bonds6

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

1-(3,5-dimethylpyrazol-1-yl)-N,N-bis[(3,5-dimethylpyrazol-1-yl)methyl]methanamine (PubChem CID 12820769) has the molecular formula C18H27N7 and a molecular weight of 341.46 g/mol. Its IUPAC name is 1-(3,5-dimethylpyrazol-1-yl)-N,N-bis[(3,5-dimethylpyrazol-1-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(3,5-dimethylpyrazol-1-yl)-N,N-bis[(3,5-dimethylpyrazol-1-yl)methyl]methanamine
PubChem CID12820769
Molecular FormulaC18H27N7
Molecular Weight341.46 g/mol
Exact Mass341.23
IUPAC Name1-(3,5-dimethylpyrazol-1-yl)-N,N-bis[(3,5-dimethylpyrazol-1-yl)methyl]methanamine
SMILESCc1cc(C)n(CN(Cn2nc(C)cc2C)Cn2nc(C)cc2C)n1
InChIInChI=1S/C18H27N7/c1-13-7-16(4)23(19-13)10-22(11-24-17(5)8-14(2)20-24)12-25-18(6)9-15(3)21-25/h7-9H,10-12H2,1-6H3
InChIKeyCKOXCUVKBSOQLB-UHFFFAOYSA-N
XLogP2.70
TPSA56.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-(3,5-dimethylpyrazol-1-yl)-N,N-bis[(3,5-dimethylpyrazol-1-yl)methyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylpyrazol-1-yl)-N,N-bis[(3,5-dimethylpyrazol-1-yl)methyl]methanamine?
The IUPAC name of 1-(3,5-dimethylpyrazol-1-yl)-N,N-bis[(3,5-dimethylpyrazol-1-yl)methyl]methanamine (CID 12820769) is 1-(3,5-dimethylpyrazol-1-yl)-N,N-bis[(3,5-dimethylpyrazol-1-yl)methyl]methanamine.
What is the SMILES notation for 1-(3,5-dimethylpyrazol-1-yl)-N,N-bis[(3,5-dimethylpyrazol-1-yl)methyl]methanamine?
The canonical SMILES for 1-(3,5-dimethylpyrazol-1-yl)-N,N-bis[(3,5-dimethylpyrazol-1-yl)methyl]methanamine is Cc1cc(C)n(CN(Cn2nc(C)cc2C)Cn2nc(C)cc2C)n1.
What is the InChIKey of 1-(3,5-dimethylpyrazol-1-yl)-N,N-bis[(3,5-dimethylpyrazol-1-yl)methyl]methanamine?
The InChIKey is CKOXCUVKBSOQLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N7/c1-13-7-16(4)23(19-13)10-22(11-24-17(5)8-14(2)20-24)12-25-18(6)9-15(3)21-25/h7-9H,10-12H2,1-6H3.
What are the key properties of 1-(3,5-dimethylpyrazol-1-yl)-N,N-bis[(3,5-dimethylpyrazol-1-yl)methyl]methanamine?
1-(3,5-dimethylpyrazol-1-yl)-N,N-bis[(3,5-dimethylpyrazol-1-yl)methyl]methanamine has a molecular weight of 341.46 g/mol, XLogP of 2.70, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylpyrazol-1-yl)-N,N-bis[(3,5-dimethylpyrazol-1-yl)methyl]methanamine is sourced from PubChem (CID 12820769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).