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

C12H18N4 — CID 66404294

IUPACN-[[1-[(1-methylpyrazol-4-yl)methyl]pyrrol-3-yl]methyl]ethanamine
SMILESCCNCc1ccn(Cc2cnn(C)c2)c1
InChIInChI=1S/C12H18N4/c1-3-13-6-11-4-5-16(9-11)10-12-7-14-15(2)8-12/h4-5,7-9,13H,3,6,10H2,1-2H3
InChIKeyCUPJCQMZJIBRLK-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.38
Rot. Bonds5

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

N-[[1-[(1-methylpyrazol-4-yl)methyl]pyrrol-3-yl]methyl]ethanamine (PubChem CID 66404294) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is N-[[1-[(1-methylpyrazol-4-yl)methyl]pyrrol-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-[(1-methylpyrazol-4-yl)methyl]pyrrol-3-yl]methyl]ethanamine
PubChem CID66404294
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC NameN-[[1-[(1-methylpyrazol-4-yl)methyl]pyrrol-3-yl]methyl]ethanamine
SMILESCCNCc1ccn(Cc2cnn(C)c2)c1
InChIInChI=1S/C12H18N4/c1-3-13-6-11-4-5-16(9-11)10-12-7-14-15(2)8-12/h4-5,7-9,13H,3,6,10H2,1-2H3
InChIKeyCUPJCQMZJIBRLK-UHFFFAOYSA-N
XLogP1.38
TPSA34.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[(1-methylpyrazol-4-yl)methyl]pyrrol-3-yl]propan-2-amine
CID 66406488
N-[[1-[(2-methyltetrazol-5-yl)methyl]pyrrol-3-yl]methyl]ethanamine
CID 107045524
N-[[1-[(3-propylimidazol-4-yl)methyl]pyrrol-3-yl]methyl]ethanamine
CID 66406746
N-[(1-dodecylpyrrol-3-yl)methyl]ethanamine
CID 66404098
N-[[1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]pyrrol-3-yl]methyl]ethanamine
CID 66405511
1-methyl-N-[(1-propylpyrrol-3-yl)methyl]pyrazol-4-amine
CID 66398631
N-[[1-[(4-chloro-3-fluorophenyl)methyl]pyrrol-3-yl]methyl]ethanamine
CID 107883316
N-[(1-methylpyrazol-4-yl)methyl]-1-phenylmethanamine;hydrochloride
CID 126966764
N-[(1-cyclopentylpyrazol-4-yl)methyl]ethanamine
CID 61271729
2-[3-(ethylaminomethyl)pyrrol-1-yl]-N,N-dimethylacetamide
CID 66405923
N-[[1-(2-butoxyethyl)pyrrol-3-yl]methyl]ethanamine
CID 66405314
N-cyclopropyl-3-[3-(ethylaminomethyl)pyrrol-1-yl]propanamide
CID 66404307

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(1-methylpyrazol-4-yl)methyl]pyrrol-3-yl]methyl]ethanamine?
The IUPAC name of N-[[1-[(1-methylpyrazol-4-yl)methyl]pyrrol-3-yl]methyl]ethanamine (CID 66404294) is N-[[1-[(1-methylpyrazol-4-yl)methyl]pyrrol-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-[(1-methylpyrazol-4-yl)methyl]pyrrol-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-[(1-methylpyrazol-4-yl)methyl]pyrrol-3-yl]methyl]ethanamine is CCNCc1ccn(Cc2cnn(C)c2)c1.
What is the InChIKey of N-[[1-[(1-methylpyrazol-4-yl)methyl]pyrrol-3-yl]methyl]ethanamine?
The InChIKey is CUPJCQMZJIBRLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4/c1-3-13-6-11-4-5-16(9-11)10-12-7-14-15(2)8-12/h4-5,7-9,13H,3,6,10H2,1-2H3.
What are the key properties of N-[[1-[(1-methylpyrazol-4-yl)methyl]pyrrol-3-yl]methyl]ethanamine?
N-[[1-[(1-methylpyrazol-4-yl)methyl]pyrrol-3-yl]methyl]ethanamine has a molecular weight of 218.30 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(1-methylpyrazol-4-yl)methyl]pyrrol-3-yl]methyl]ethanamine is sourced from PubChem (CID 66404294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).