1-[3-[(1-ethylpyrazol-4-yl)methyl]-2-methylimidazol-4-yl]-N-methylmethanamine

C12H19N5 — CID 65172508

IUPAC1-[3-[(1-ethylpyrazol-4-yl)methyl]-2-methylimidazol-4-yl]-N-methylmethanamine
SMILESCCn1cc(Cn2c(CNC)cnc2C)cn1
InChIInChI=1S/C12H19N5/c1-4-16-8-11(5-15-16)9-17-10(2)14-7-12(17)6-13-3/h5,7-8,13H,4,6,9H2,1-3H3
InChIKeyIBUJPOUQRMQIIC-UHFFFAOYSA-N
MW233.32 g/mol
LogP1.18
Rot. Bonds5

About 1-[3-[(1-ethylpyrazol-4-yl)methyl]-2-methylimidazol-4-yl]-N-methylmethanamine

1-[3-[(1-ethylpyrazol-4-yl)methyl]-2-methylimidazol-4-yl]-N-methylmethanamine (PubChem CID 65172508) has the molecular formula C12H19N5 and a molecular weight of 233.32 g/mol. Its IUPAC name is 1-[3-[(1-ethylpyrazol-4-yl)methyl]-2-methylimidazol-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-[(1-ethylpyrazol-4-yl)methyl]-2-methylimidazol-4-yl]-N-methylmethanamine
PubChem CID65172508
Molecular FormulaC12H19N5
Molecular Weight233.32 g/mol
Exact Mass233.16
IUPAC Name1-[3-[(1-ethylpyrazol-4-yl)methyl]-2-methylimidazol-4-yl]-N-methylmethanamine
SMILESCCn1cc(Cn2c(CNC)cnc2C)cn1
InChIInChI=1S/C12H19N5/c1-4-16-8-11(5-15-16)9-17-10(2)14-7-12(17)6-13-3/h5,7-8,13H,4,6,9H2,1-3H3
InChIKeyIBUJPOUQRMQIIC-UHFFFAOYSA-N
XLogP1.18
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-[(1-ethylpyrazol-4-yl)methyl]-2-methylimidazol-4-yl]methyl]-2-methylpropan-1-amine
CID 65171777
methyl 3-[(1-ethylpyrazol-4-yl)methyl]-2-methylimidazole-4-carboxylate
CID 65171502
1-[3-[(4-bromophenyl)methyl]-2-methylimidazol-4-yl]-N-methylmethanamine
CID 65172660
1-[3-[(3,4-dimethylphenyl)methyl]-2-methylimidazol-4-yl]-N-methylmethanamine
CID 65173081
N-methyl-1-(2-methyl-3-nonylimidazol-4-yl)methanamine
CID 65173232
N-methyl-1-(2-methyl-3-prop-2-ynylimidazol-4-yl)methanamine
CID 65173129
N-methyl-1-[2-methyl-3-(naphthalen-1-ylmethyl)imidazol-4-yl]methanamine
CID 65172711
1-[3-[(2,5-dichlorophenyl)methyl]-2-methylimidazol-4-yl]-N-methylmethanamine
CID 65316101
4-(chloromethyl)-1-[(1-ethylpyrazol-4-yl)methyl]pyrazole
CID 62730205
N-[[1-[(1-ethylpyrazol-4-yl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-2-amine
CID 66402997
1-[2-[(1-ethylpyrazol-4-yl)methoxy]phenyl]-N-methylmethanamine
CID 62126496
1,4-diethylpyrazole;ethane
CID 143641951

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(1-ethylpyrazol-4-yl)methyl]-2-methylimidazol-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[3-[(1-ethylpyrazol-4-yl)methyl]-2-methylimidazol-4-yl]-N-methylmethanamine (CID 65172508) is 1-[3-[(1-ethylpyrazol-4-yl)methyl]-2-methylimidazol-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-[(1-ethylpyrazol-4-yl)methyl]-2-methylimidazol-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[3-[(1-ethylpyrazol-4-yl)methyl]-2-methylimidazol-4-yl]-N-methylmethanamine is CCn1cc(Cn2c(CNC)cnc2C)cn1.
What is the InChIKey of 1-[3-[(1-ethylpyrazol-4-yl)methyl]-2-methylimidazol-4-yl]-N-methylmethanamine?
The InChIKey is IBUJPOUQRMQIIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5/c1-4-16-8-11(5-15-16)9-17-10(2)14-7-12(17)6-13-3/h5,7-8,13H,4,6,9H2,1-3H3.
What are the key properties of 1-[3-[(1-ethylpyrazol-4-yl)methyl]-2-methylimidazol-4-yl]-N-methylmethanamine?
1-[3-[(1-ethylpyrazol-4-yl)methyl]-2-methylimidazol-4-yl]-N-methylmethanamine has a molecular weight of 233.32 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(1-ethylpyrazol-4-yl)methyl]-2-methylimidazol-4-yl]-N-methylmethanamine is sourced from PubChem (CID 65172508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).