1-[3-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)imidazol-2-yl]phenyl]-N,N-dimethylmethanamine;formic acid

C20H27N5O2 — CID 154920430

IUPAC1-[3-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)imidazol-2-yl]phenyl]-N,N-dimethylmethanamine;formic acid
SMILESCCn1nc(C)c(-n2ccnc2-c2cccc(CN(C)C)c2)c1C.O=CO
InChIInChI=1S/C19H25N5.CH2O2/c1-6-24-15(3)18(14(2)21-24)23-11-10-20-19(23)17-9-7-8-16(12-17)13-22(4)5;2-1-3/h7-12H,6,13H2,1-5H3;1H,(H,2,3)
InChIKeyUOPQFOCGWGZGBR-UHFFFAOYSA-N
MW369.47 g/mol
LogP3.13
Rot. Bonds5

About 1-[3-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)imidazol-2-yl]phenyl]-N,N-dimethylmethanamine;formic acid

1-[3-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)imidazol-2-yl]phenyl]-N,N-dimethylmethanamine;formic acid (PubChem CID 154920430) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is 1-[3-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)imidazol-2-yl]phenyl]-N,N-dimethylmethanamine;formic acid.

Molecular Properties

Compound Name1-[3-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)imidazol-2-yl]phenyl]-N,N-dimethylmethanamine;formic acid
PubChem CID154920430
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC Name1-[3-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)imidazol-2-yl]phenyl]-N,N-dimethylmethanamine;formic acid
SMILESCCn1nc(C)c(-n2ccnc2-c2cccc(CN(C)C)c2)c1C.O=CO
InChIInChI=1S/C19H25N5.CH2O2/c1-6-24-15(3)18(14(2)21-24)23-11-10-20-19(23)17-9-7-8-16(12-17)13-22(4)5;2-1-3/h7-12H,6,13H2,1-5H3;1H,(H,2,3)
InChIKeyUOPQFOCGWGZGBR-UHFFFAOYSA-N
XLogP3.13
TPSA76.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-[4-[2-[4-[1-(dimethylamino)ethyl]phenyl]imidazol-1-yl]-3,5-dimethylpyrazol-1-yl]ethanol;formic acid
CID 154923717
1-[3-(1-cyclopropylimidazol-2-yl)phenyl]-N,N-dimethylmethanamine
CID 155919706
3-[2-[3-[(dimethylamino)methyl]phenyl]imidazol-1-yl]-N,2-dimethylpropanamide
CID 70723626
N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-[methyl-[[3-(2H-tetrazol-5-yl)phenyl]methyl]amino]acetamide
CID 91844210
N,N-dimethyl-1-(3-pyridin-2-ylphenyl)methanamine
CID 91152039
4-amino-1-ethyl-N,3-dimethyl-N-[(3-methylphenyl)methyl]pyrazole-5-carboxamide
CID 66125622
N,N-dimethyl-1-[3-(1,3-thiazol-2-yl)phenyl]methanamine
CID 173380030
3-(ethylaminomethyl)-N-methyl-N-[(3-methylphenyl)methyl]pyridin-2-amine
CID 62288170
1-[3-[1-(1,9-dioxaspiro[5.5]undecan-4-yl)imidazol-2-yl]phenyl]-N,N-dimethylmethanamine
CID 154821862
1-benzyl-2-phenylimidazole;formic acid
CID 158419728
3-[(dimethylamino)methyl]-N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]benzamide;formic acid
CID 154905248
2-[3-[(dimethylamino)methyl]phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 39161045

Frequently Asked Questions

What is the IUPAC name of 1-[3-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)imidazol-2-yl]phenyl]-N,N-dimethylmethanamine;formic acid?
The IUPAC name of 1-[3-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)imidazol-2-yl]phenyl]-N,N-dimethylmethanamine;formic acid (CID 154920430) is 1-[3-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)imidazol-2-yl]phenyl]-N,N-dimethylmethanamine;formic acid.
What is the SMILES notation for 1-[3-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)imidazol-2-yl]phenyl]-N,N-dimethylmethanamine;formic acid?
The canonical SMILES for 1-[3-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)imidazol-2-yl]phenyl]-N,N-dimethylmethanamine;formic acid is CCn1nc(C)c(-n2ccnc2-c2cccc(CN(C)C)c2)c1C.O=CO.
What is the InChIKey of 1-[3-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)imidazol-2-yl]phenyl]-N,N-dimethylmethanamine;formic acid?
The InChIKey is UOPQFOCGWGZGBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5.CH2O2/c1-6-24-15(3)18(14(2)21-24)23-11-10-20-19(23)17-9-7-8-16(12-17)13-22(4)5;2-1-3/h7-12H,6,13H2,1-5H3;1H,(H,2,3).
What are the key properties of 1-[3-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)imidazol-2-yl]phenyl]-N,N-dimethylmethanamine;formic acid?
1-[3-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)imidazol-2-yl]phenyl]-N,N-dimethylmethanamine;formic acid has a molecular weight of 369.47 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)imidazol-2-yl]phenyl]-N,N-dimethylmethanamine;formic acid is sourced from PubChem (CID 154920430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).