N-[[2-(3,5-dimethylpyrazol-1-yl)-4-pyridinyl]methyl]ethanamine

C13H18N4 — CID 62295215

IUPACN-[[2-(3,5-dimethylpyrazol-1-yl)-4-pyridinyl]methyl]ethanamine
SMILESCCNCc1ccnc(-n2nc(C)cc2C)c1
InChIInChI=1S/C13H18N4/c1-4-14-9-12-5-6-15-13(8-12)17-11(3)7-10(2)16-17/h5-8,14H,4,9H2,1-3H3
InChIKeyVTCMMULBMBRWLQ-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.99
Rot. Bonds4

About N-[[2-(3,5-dimethylpyrazol-1-yl)-4-pyridinyl]methyl]ethanamine

N-[[2-(3,5-dimethylpyrazol-1-yl)-4-pyridinyl]methyl]ethanamine (PubChem CID 62295215) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is N-[[2-(3,5-dimethylpyrazol-1-yl)-4-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(3,5-dimethylpyrazol-1-yl)-4-pyridinyl]methyl]ethanamine
PubChem CID62295215
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC NameN-[[2-(3,5-dimethylpyrazol-1-yl)-4-pyridinyl]methyl]ethanamine
SMILESCCNCc1ccnc(-n2nc(C)cc2C)c1
InChIInChI=1S/C13H18N4/c1-4-14-9-12-5-6-15-13(8-12)17-11(3)7-10(2)16-17/h5-8,14H,4,9H2,1-3H3
InChIKeyVTCMMULBMBRWLQ-UHFFFAOYSA-N
XLogP1.99
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(3,5-dimethylpyrazol-1-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 62292753
N-[[2-(3,5-dimethyl-1,2,4-triazol-1-yl)-4-pyridinyl]methyl]ethanamine
CID 62294478
N-[[2-(3,4,5-trimethylpyrazol-1-yl)-4-pyridinyl]methyl]ethanamine
CID 62288983
N-[[2-(3-methylpyrazol-1-yl)-4-pyridinyl]methyl]ethanamine
CID 62491394
N-[[2-(4-bromo-3,5-dimethylpyrazol-1-yl)-4-pyridinyl]methyl]ethanamine
CID 62294452
N-[[6-(3,5-dimethylpyrazol-1-yl)-5-methyl-3-pyridinyl]methyl]ethanamine
CID 80636183
N-[[2-(4-chloro-3,5-dimethylpyrazol-1-yl)-4-pyridinyl]methyl]propan-1-amine
CID 62295333
N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-1-(4-methylphenyl)methanamine
CID 47052510
N-[[2-(2,2-dimethylmorpholin-4-yl)-4-pyridinyl]methyl]ethanamine
CID 62282782
2-(3,5-dimethylpyrazol-1-yl)pyridine
CID 676764
N-[[2-(3,5-diethylpyrazol-1-yl)-4-pyridinyl]methyl]propan-1-amine
CID 82694623
N-[[4-bromo-2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]ethanamine
CID 43282149

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3,5-dimethylpyrazol-1-yl)-4-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[2-(3,5-dimethylpyrazol-1-yl)-4-pyridinyl]methyl]ethanamine (CID 62295215) is N-[[2-(3,5-dimethylpyrazol-1-yl)-4-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(3,5-dimethylpyrazol-1-yl)-4-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[2-(3,5-dimethylpyrazol-1-yl)-4-pyridinyl]methyl]ethanamine is CCNCc1ccnc(-n2nc(C)cc2C)c1.
What is the InChIKey of N-[[2-(3,5-dimethylpyrazol-1-yl)-4-pyridinyl]methyl]ethanamine?
The InChIKey is VTCMMULBMBRWLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-4-14-9-12-5-6-15-13(8-12)17-11(3)7-10(2)16-17/h5-8,14H,4,9H2,1-3H3.
What are the key properties of N-[[2-(3,5-dimethylpyrazol-1-yl)-4-pyridinyl]methyl]ethanamine?
N-[[2-(3,5-dimethylpyrazol-1-yl)-4-pyridinyl]methyl]ethanamine has a molecular weight of 230.31 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3,5-dimethylpyrazol-1-yl)-4-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 62295215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).