2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-N-(pyridin-4-ylmethyl)propan-1-amine

C15H22N4 — CID 77096435

IUPAC2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-N-(pyridin-4-ylmethyl)propan-1-amine
SMILESCC(C)CN(Cc1ccncc1)Cc1cnn(C)c1
InChIInChI=1S/C15H22N4/c1-13(2)9-19(11-14-4-6-16-7-5-14)12-15-8-17-18(3)10-15/h4-8,10,13H,9,11-12H2,1-3H3
InChIKeyXJTDSMAHFMOWGD-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.47
Rot. Bonds6

About 2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-N-(pyridin-4-ylmethyl)propan-1-amine

2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-N-(pyridin-4-ylmethyl)propan-1-amine (PubChem CID 77096435) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is 2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-N-(pyridin-4-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-N-(pyridin-4-ylmethyl)propan-1-amine
PubChem CID77096435
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-N-(pyridin-4-ylmethyl)propan-1-amine
SMILESCC(C)CN(Cc1ccncc1)Cc1cnn(C)c1
InChIInChI=1S/C15H22N4/c1-13(2)9-19(11-14-4-6-16-7-5-14)12-15-8-17-18(3)10-15/h4-8,10,13H,9,11-12H2,1-3H3
InChIKeyXJTDSMAHFMOWGD-UHFFFAOYSA-N
XLogP2.47
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-methylpropyl-[(1-methylpyrazol-4-yl)methyl]amino]propanenitrile
CID 60691101
2-[2-methylpropyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide
CID 132968617
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]propan-1-amine
CID 46988045
N-[2-(1-methylpyrazol-4-yl)ethyl]-2-pyridin-4-ylethanamine
CID 80688590
2-methyl-N-[(2-methylphenyl)methyl]-N-(pyridin-4-ylmethyl)propan-1-amine
CID 46996447
N-benzyl-2-bromo-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
CID 80678771
1-N-methyl-1-N-[(1-methylpyrazol-4-yl)methyl]propane-1,2-diamine
CID 61438748
[4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]phenyl]methanamine
CID 61438389
1-bromo-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]propan-2-amine
CID 104554967
ethane;4-ethyl-1-methylpyrazole
CID 143829284
2-[2,2-difluoroethyl-[(1-methylpyrazol-4-yl)methyl]amino]ethanol
CID 107485701
(2R)-2-imidazol-1-yl-N-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]propanamide
CID 126451829

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-N-(pyridin-4-ylmethyl)propan-1-amine?
The IUPAC name of 2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-N-(pyridin-4-ylmethyl)propan-1-amine (CID 77096435) is 2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-N-(pyridin-4-ylmethyl)propan-1-amine.
What is the SMILES notation for 2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-N-(pyridin-4-ylmethyl)propan-1-amine?
The canonical SMILES for 2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-N-(pyridin-4-ylmethyl)propan-1-amine is CC(C)CN(Cc1ccncc1)Cc1cnn(C)c1.
What is the InChIKey of 2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-N-(pyridin-4-ylmethyl)propan-1-amine?
The InChIKey is XJTDSMAHFMOWGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-13(2)9-19(11-14-4-6-16-7-5-14)12-15-8-17-18(3)10-15/h4-8,10,13H,9,11-12H2,1-3H3.
What are the key properties of 2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-N-(pyridin-4-ylmethyl)propan-1-amine?
2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-N-(pyridin-4-ylmethyl)propan-1-amine has a molecular weight of 258.37 g/mol, XLogP of 2.47, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-N-(pyridin-4-ylmethyl)propan-1-amine is sourced from PubChem (CID 77096435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).