1-(1-ethylpyrazol-4-yl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methylmethanamine;formic acid

C17H26N4O3 — CID 154908656

IUPAC1-(1-ethylpyrazol-4-yl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methylmethanamine;formic acid
SMILESCCn1cc(CN(C)Cc2ncc(C)c(OC)c2C)cn1.O=CO
InChIInChI=1S/C16H24N4O.CH2O2/c1-6-20-10-14(8-18-20)9-19(4)11-15-13(3)16(21-5)12(2)7-17-15;2-1-3/h7-8,10H,6,9,11H2,1-5H3;1H,(H,2,3)
InChIKeyPQDMQPUXUXYRDU-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.26
Rot. Bonds6

About 1-(1-ethylpyrazol-4-yl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methylmethanamine;formic acid

1-(1-ethylpyrazol-4-yl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methylmethanamine;formic acid (PubChem CID 154908656) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is 1-(1-ethylpyrazol-4-yl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methylmethanamine;formic acid.

Molecular Properties

Compound Name1-(1-ethylpyrazol-4-yl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methylmethanamine;formic acid
PubChem CID154908656
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC Name1-(1-ethylpyrazol-4-yl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methylmethanamine;formic acid
SMILESCCn1cc(CN(C)Cc2ncc(C)c(OC)c2C)cn1.O=CO
InChIInChI=1S/C16H24N4O.CH2O2/c1-6-20-10-14(8-18-20)9-19(4)11-15-13(3)16(21-5)12(2)7-17-15;2-1-3/h7-8,10H,6,9,11H2,1-5H3;1H,(H,2,3)
InChIKeyPQDMQPUXUXYRDU-UHFFFAOYSA-N
XLogP2.26
TPSA80.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-(1-ethylpyrazol-4-yl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methylmethanamine;formic acid with MolForge

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Related Compounds

1-(1-ethylpyrazol-4-yl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methylmethanamine
CID 131942745
2-[[4-(chloromethyl)pyrazol-1-yl]methyl]-4-methoxy-3,5-dimethylpyridine
CID 62729474
3-[[(1-ethylpyrazol-4-yl)methyl-methylamino]methyl]-5-methyl-1,2-oxazole-4-carboxylic acid
CID 138003915
ethyl 3-[(1-ethylpyrazol-4-yl)methyl-methylamino]propanoate
CID 55040533
1-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrazol-4-yl]-N-methylmethanamine
CID 62731017
4-[[(1-ethylpyrazol-4-yl)methyl-methylamino]methyl]benzoic acid
CID 62126061
N'-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N',2-dimethylpropane-1,3-diamine
CID 54991612
3,4,5-trimethoxy-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methylbenzamide
CID 51128958
4-[[(1-ethylpyrazol-4-yl)methyl-methylamino]methyl]aniline
CID 62127965
N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N,2,5-trimethylpyrazole-3-carboxamide
CID 146085594
3,5-dichloro-4-methoxy-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methylbenzamide
CID 51128954
(2R)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N,2-dimethylpentanamide
CID 95316113

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpyrazol-4-yl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methylmethanamine;formic acid?
The IUPAC name of 1-(1-ethylpyrazol-4-yl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methylmethanamine;formic acid (CID 154908656) is 1-(1-ethylpyrazol-4-yl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methylmethanamine;formic acid.
What is the SMILES notation for 1-(1-ethylpyrazol-4-yl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methylmethanamine;formic acid?
The canonical SMILES for 1-(1-ethylpyrazol-4-yl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methylmethanamine;formic acid is CCn1cc(CN(C)Cc2ncc(C)c(OC)c2C)cn1.O=CO.
What is the InChIKey of 1-(1-ethylpyrazol-4-yl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methylmethanamine;formic acid?
The InChIKey is PQDMQPUXUXYRDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O.CH2O2/c1-6-20-10-14(8-18-20)9-19(4)11-15-13(3)16(21-5)12(2)7-17-15;2-1-3/h7-8,10H,6,9,11H2,1-5H3;1H,(H,2,3).
What are the key properties of 1-(1-ethylpyrazol-4-yl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methylmethanamine;formic acid?
1-(1-ethylpyrazol-4-yl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methylmethanamine;formic acid has a molecular weight of 334.42 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpyrazol-4-yl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methylmethanamine;formic acid is sourced from PubChem (CID 154908656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).