1-(3-ethyl-1-methylpyrazol-5-yl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine

C16H24N4O — CID 105175625

IUPAC1-(3-ethyl-1-methylpyrazol-5-yl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine
SMILESCCCOc1cncc(C(NC)c2cc(CC)nn2C)c1
InChIInChI=1S/C16H24N4O/c1-5-7-21-14-8-12(10-18-11-14)16(17-3)15-9-13(6-2)19-20(15)4/h8-11,16-17H,5-7H2,1-4H3
InChIKeyZNTBFVJLKJAJII-UHFFFAOYSA-N
MW288.40 g/mol
LogP2.48
Rot. Bonds7

About 1-(3-ethyl-1-methylpyrazol-5-yl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine

1-(3-ethyl-1-methylpyrazol-5-yl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine (PubChem CID 105175625) has the molecular formula C16H24N4O and a molecular weight of 288.40 g/mol. Its IUPAC name is 1-(3-ethyl-1-methylpyrazol-5-yl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine.

Molecular Properties

Compound Name1-(3-ethyl-1-methylpyrazol-5-yl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine
PubChem CID105175625
Molecular FormulaC16H24N4O
Molecular Weight288.40 g/mol
Exact Mass288.20
IUPAC Name1-(3-ethyl-1-methylpyrazol-5-yl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine
SMILESCCCOc1cncc(C(NC)c2cc(CC)nn2C)c1
InChIInChI=1S/C16H24N4O/c1-5-7-21-14-8-12(10-18-11-14)16(17-3)15-9-13(6-2)19-20(15)4/h8-11,16-17H,5-7H2,1-4H3
InChIKeyZNTBFVJLKJAJII-UHFFFAOYSA-N
XLogP2.48
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,5-dimethylphenyl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine
CID 105026730
1-(3,4-dimethylphenyl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine
CID 105026781
1-(3,5-dichlorophenyl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine
CID 105026931
(3-ethyl-1-methylpyrazol-5-yl)-(5-methoxy-3-pyridinyl)methanamine
CID 105175242
N-methyl-1-(5-propoxy-3-pyridinyl)-1-(thiadiazol-5-yl)methanamine
CID 105175758
1-(3-ethyl-2-pyridinyl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine
CID 82732602
1-(4,5-dimethylthiophen-2-yl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine
CID 105026807
2,2,2-trifluoro-N-methyl-1-(5-propoxy-3-pyridinyl)ethanamine
CID 105026955
1-(3-ethyl-1-methylpyrazol-5-yl)-N-methyl-2-propoxyethanamine
CID 105165261
N-methyl-1-(3-methylimidazol-4-yl)-1-(4-propoxyphenyl)methanamine
CID 82903609
1-(2,4-dimethoxyphenyl)-1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylmethanamine
CID 105145074
N-methyl-1-(2-methyl-3-pyridinyl)-1-(5-propoxy-3-pyridinyl)methanamine
CID 105175626

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-1-methylpyrazol-5-yl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine?
The IUPAC name of 1-(3-ethyl-1-methylpyrazol-5-yl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine (CID 105175625) is 1-(3-ethyl-1-methylpyrazol-5-yl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine.
What is the SMILES notation for 1-(3-ethyl-1-methylpyrazol-5-yl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine?
The canonical SMILES for 1-(3-ethyl-1-methylpyrazol-5-yl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine is CCCOc1cncc(C(NC)c2cc(CC)nn2C)c1.
What is the InChIKey of 1-(3-ethyl-1-methylpyrazol-5-yl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine?
The InChIKey is ZNTBFVJLKJAJII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-5-7-21-14-8-12(10-18-11-14)16(17-3)15-9-13(6-2)19-20(15)4/h8-11,16-17H,5-7H2,1-4H3.
What are the key properties of 1-(3-ethyl-1-methylpyrazol-5-yl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine?
1-(3-ethyl-1-methylpyrazol-5-yl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine has a molecular weight of 288.40 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-1-methylpyrazol-5-yl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine is sourced from PubChem (CID 105175625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).