N-[(1-methylpyrazol-4-yl)-(5-methyl-3-pyridinyl)methyl]ethanamine

C13H18N4 — CID 115374632

IUPACN-[(1-methylpyrazol-4-yl)-(5-methyl-3-pyridinyl)methyl]ethanamine
SMILESCCNC(c1cncc(C)c1)c1cnn(C)c1
InChIInChI=1S/C13H18N4/c1-4-15-13(12-8-16-17(3)9-12)11-5-10(2)6-14-7-11/h5-9,13,15H,4H2,1-3H3
InChIKeyXYLPLPBHXCBPFT-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.82
Rot. Bonds4

About N-[(1-methylpyrazol-4-yl)-(5-methyl-3-pyridinyl)methyl]ethanamine

N-[(1-methylpyrazol-4-yl)-(5-methyl-3-pyridinyl)methyl]ethanamine (PubChem CID 115374632) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is N-[(1-methylpyrazol-4-yl)-(5-methyl-3-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(1-methylpyrazol-4-yl)-(5-methyl-3-pyridinyl)methyl]ethanamine
PubChem CID115374632
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC NameN-[(1-methylpyrazol-4-yl)-(5-methyl-3-pyridinyl)methyl]ethanamine
SMILESCCNC(c1cncc(C)c1)c1cnn(C)c1
InChIInChI=1S/C13H18N4/c1-4-15-13(12-8-16-17(3)9-12)11-5-10(2)6-14-7-11/h5-9,13,15H,4H2,1-3H3
InChIKeyXYLPLPBHXCBPFT-UHFFFAOYSA-N
XLogP1.82
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 ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,5-dimethylphenyl)-(5-methyl-3-pyridinyl)methyl]ethanamine
CID 105023254
N-[(3,5-dichlorophenyl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 43492483
(1-methylpyrazol-4-yl)-(5-methyl-3-pyridinyl)methanol
CID 115373634
N-[(5-bromo-3-pyridinyl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine
CID 43497258
N-[(2-fluoro-4,6-dimethylphenyl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 106881613
N-[(5-iodothiophen-3-yl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 115808897
N-[(5-methyl-3-pyridinyl)-(2,4,5-trimethylphenyl)methyl]ethanamine
CID 105155164
N-[(3-chloro-4-fluorophenyl)-(5-methyl-3-pyridinyl)methyl]ethanamine
CID 115374528
N-[(2-methoxy-5-methylphenyl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 65200292
N-[(1-ethylpyrazol-4-yl)-(5-fluoro-3-pyridinyl)methyl]ethanamine
CID 105108938
N-[(4-chloro-1-ethylpyrazol-5-yl)-(5-methyl-3-pyridinyl)methyl]ethanamine
CID 105183300
N-[(6-bromonaphthalen-2-yl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 115808523

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrazol-4-yl)-(5-methyl-3-pyridinyl)methyl]ethanamine?
The IUPAC name of N-[(1-methylpyrazol-4-yl)-(5-methyl-3-pyridinyl)methyl]ethanamine (CID 115374632) is N-[(1-methylpyrazol-4-yl)-(5-methyl-3-pyridinyl)methyl]ethanamine.
What is the SMILES notation for N-[(1-methylpyrazol-4-yl)-(5-methyl-3-pyridinyl)methyl]ethanamine?
The canonical SMILES for N-[(1-methylpyrazol-4-yl)-(5-methyl-3-pyridinyl)methyl]ethanamine is CCNC(c1cncc(C)c1)c1cnn(C)c1.
What is the InChIKey of N-[(1-methylpyrazol-4-yl)-(5-methyl-3-pyridinyl)methyl]ethanamine?
The InChIKey is XYLPLPBHXCBPFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-4-15-13(12-8-16-17(3)9-12)11-5-10(2)6-14-7-11/h5-9,13,15H,4H2,1-3H3.
What are the key properties of N-[(1-methylpyrazol-4-yl)-(5-methyl-3-pyridinyl)methyl]ethanamine?
N-[(1-methylpyrazol-4-yl)-(5-methyl-3-pyridinyl)methyl]ethanamine has a molecular weight of 230.31 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrazol-4-yl)-(5-methyl-3-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 115374632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).