N-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(5-methyl-1H-pyrazol-4-yl)methanamine

C15H25N5 — CID 86814251

IUPACN-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(5-methyl-1H-pyrazol-4-yl)methanamine
SMILESCc1nn(C(C)(C)C)c(C)c1CNCc1cn[nH]c1C
InChIInChI=1S/C15H25N5/c1-10-13(8-17-18-10)7-16-9-14-11(2)19-20(12(14)3)15(4,5)6/h8,16H,7,9H2,1-6H3,(H,17,18)
InChIKeyJMCFXHHLYIXCKQ-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.58
Rot. Bonds4

About N-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(5-methyl-1H-pyrazol-4-yl)methanamine

N-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(5-methyl-1H-pyrazol-4-yl)methanamine (PubChem CID 86814251) has the molecular formula C15H25N5 and a molecular weight of 275.40 g/mol. Its IUPAC name is N-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(5-methyl-1H-pyrazol-4-yl)methanamine.

Molecular Properties

Compound NameN-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(5-methyl-1H-pyrazol-4-yl)methanamine
PubChem CID86814251
Molecular FormulaC15H25N5
Molecular Weight275.40 g/mol
Exact Mass275.21
IUPAC NameN-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(5-methyl-1H-pyrazol-4-yl)methanamine
SMILESCc1nn(C(C)(C)C)c(C)c1CNCc1cn[nH]c1C
InChIInChI=1S/C15H25N5/c1-10-13(8-17-18-10)7-16-9-14-11(2)19-20(12(14)3)15(4,5)6/h8,16H,7,9H2,1-6H3,(H,17,18)
InChIKeyJMCFXHHLYIXCKQ-UHFFFAOYSA-N
XLogP2.58
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(5-methyl-1H-pyrazol-4-yl)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 N-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(5-methyl-1H-pyrazol-4-yl)methanamine?
The IUPAC name of N-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(5-methyl-1H-pyrazol-4-yl)methanamine (CID 86814251) is N-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(5-methyl-1H-pyrazol-4-yl)methanamine.
What is the SMILES notation for N-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(5-methyl-1H-pyrazol-4-yl)methanamine?
The canonical SMILES for N-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(5-methyl-1H-pyrazol-4-yl)methanamine is Cc1nn(C(C)(C)C)c(C)c1CNCc1cn[nH]c1C.
What is the InChIKey of N-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(5-methyl-1H-pyrazol-4-yl)methanamine?
The InChIKey is JMCFXHHLYIXCKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5/c1-10-13(8-17-18-10)7-16-9-14-11(2)19-20(12(14)3)15(4,5)6/h8,16H,7,9H2,1-6H3,(H,17,18).
What are the key properties of N-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(5-methyl-1H-pyrazol-4-yl)methanamine?
N-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(5-methyl-1H-pyrazol-4-yl)methanamine has a molecular weight of 275.40 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(5-methyl-1H-pyrazol-4-yl)methanamine is sourced from PubChem (CID 86814251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).