N-[(1-ethylpyrazol-4-yl)methyl]-2-methyl-N-[(1-methylimidazol-2-yl)methyl]propan-1-amine

C15H25N5 — CID 46986770

IUPACN-[(1-ethylpyrazol-4-yl)methyl]-2-methyl-N-[(1-methylimidazol-2-yl)methyl]propan-1-amine
SMILESCCn1cc(CN(Cc2nccn2C)CC(C)C)cn1
InChIInChI=1S/C15H25N5/c1-5-20-11-14(8-17-20)10-19(9-13(2)3)12-15-16-6-7-18(15)4/h6-8,11,13H,5,9-10,12H2,1-4H3
InChIKeyACJUXAPCBGTDEX-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.29
Rot. Bonds7

About N-[(1-ethylpyrazol-4-yl)methyl]-2-methyl-N-[(1-methylimidazol-2-yl)methyl]propan-1-amine

N-[(1-ethylpyrazol-4-yl)methyl]-2-methyl-N-[(1-methylimidazol-2-yl)methyl]propan-1-amine (PubChem CID 46986770) has the molecular formula C15H25N5 and a molecular weight of 275.40 g/mol. Its IUPAC name is N-[(1-ethylpyrazol-4-yl)methyl]-2-methyl-N-[(1-methylimidazol-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(1-ethylpyrazol-4-yl)methyl]-2-methyl-N-[(1-methylimidazol-2-yl)methyl]propan-1-amine
PubChem CID46986770
Molecular FormulaC15H25N5
Molecular Weight275.40 g/mol
Exact Mass275.21
IUPAC NameN-[(1-ethylpyrazol-4-yl)methyl]-2-methyl-N-[(1-methylimidazol-2-yl)methyl]propan-1-amine
SMILESCCn1cc(CN(Cc2nccn2C)CC(C)C)cn1
InChIInChI=1S/C15H25N5/c1-5-20-11-14(8-17-20)10-19(9-13(2)3)12-15-16-6-7-18(15)4/h6-8,11,13H,5,9-10,12H2,1-4H3
InChIKeyACJUXAPCBGTDEX-UHFFFAOYSA-N
XLogP2.29
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(1-Methylpyrazol-4-yl)methyl]imidazole-2-carboxylic acid
CID 131212605
1-methyl-1H-pyrazolo[1,5-a]imidazole-7-carbonitrile
CID 19089125
4-{4-[3-(1h-Imidazol-1-Yl)propyl]-5-Methyl-4h-1,2,4-Triazol-3-Yl}-1-Methyl-1h-Pyrazol-5-Amine
CID 1472726
1-[(1-Methylimidazol-2-yl)methyl]-4-[(1-methylpyrazol-4-yl)methyl]piperazine
CID 53553093
4-[(1-Methylimidazol-2-yl)methyl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine
CID 53565596
2-(4-methylpyrazol-1-yl)-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]ethanamine
CID 53614784
2-pyrazol-1-yl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]ethanamine
CID 53618590
1-Methyl-2-[[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methyl]imidazole
CID 53619483
1-Methyl-2-[[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]imidazole
CID 53627291
1-[(1-Methylimidazol-2-yl)methyl]-2-(pyrazol-1-ylmethyl)piperidine
CID 56780345
2-[(4-Methylpyrazol-1-yl)methyl]-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidine
CID 56780377
1-Ethyl-2-[[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]imidazole
CID 56780535

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-2-methyl-N-[(1-methylimidazol-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-2-methyl-N-[(1-methylimidazol-2-yl)methyl]propan-1-amine (CID 46986770) is N-[(1-ethylpyrazol-4-yl)methyl]-2-methyl-N-[(1-methylimidazol-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(1-ethylpyrazol-4-yl)methyl]-2-methyl-N-[(1-methylimidazol-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(1-ethylpyrazol-4-yl)methyl]-2-methyl-N-[(1-methylimidazol-2-yl)methyl]propan-1-amine is CCn1cc(CN(Cc2nccn2C)CC(C)C)cn1.
What is the InChIKey of N-[(1-ethylpyrazol-4-yl)methyl]-2-methyl-N-[(1-methylimidazol-2-yl)methyl]propan-1-amine?
The InChIKey is ACJUXAPCBGTDEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5/c1-5-20-11-14(8-17-20)10-19(9-13(2)3)12-15-16-6-7-18(15)4/h6-8,11,13H,5,9-10,12H2,1-4H3.
What are the key properties of N-[(1-ethylpyrazol-4-yl)methyl]-2-methyl-N-[(1-methylimidazol-2-yl)methyl]propan-1-amine?
N-[(1-ethylpyrazol-4-yl)methyl]-2-methyl-N-[(1-methylimidazol-2-yl)methyl]propan-1-amine has a molecular weight of 275.40 g/mol, XLogP of 2.29, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrazol-4-yl)methyl]-2-methyl-N-[(1-methylimidazol-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 46986770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).