N-[(1,5-dimethylpyrazol-4-yl)-(5-ethoxy-3-pyridinyl)methyl]propan-1-amine

C16H24N4O — CID 105175445

IUPACN-[(1,5-dimethylpyrazol-4-yl)-(5-ethoxy-3-pyridinyl)methyl]propan-1-amine
SMILESCCCNC(c1cncc(OCC)c1)c1cnn(C)c1C
InChIInChI=1S/C16H24N4O/c1-5-7-18-16(15-11-19-20(4)12(15)3)13-8-14(21-6-2)10-17-9-13/h8-11,16,18H,5-7H2,1-4H3
InChIKeyNIKSIVOEUVJIJO-UHFFFAOYSA-N
MW288.40 g/mol
LogP2.61
Rot. Bonds7

About N-[(1,5-dimethylpyrazol-4-yl)-(5-ethoxy-3-pyridinyl)methyl]propan-1-amine

N-[(1,5-dimethylpyrazol-4-yl)-(5-ethoxy-3-pyridinyl)methyl]propan-1-amine (PubChem CID 105175445) has the molecular formula C16H24N4O and a molecular weight of 288.40 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrazol-4-yl)-(5-ethoxy-3-pyridinyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrazol-4-yl)-(5-ethoxy-3-pyridinyl)methyl]propan-1-amine
PubChem CID105175445
Molecular FormulaC16H24N4O
Molecular Weight288.40 g/mol
Exact Mass288.20
IUPAC NameN-[(1,5-dimethylpyrazol-4-yl)-(5-ethoxy-3-pyridinyl)methyl]propan-1-amine
SMILESCCCNC(c1cncc(OCC)c1)c1cnn(C)c1C
InChIInChI=1S/C16H24N4O/c1-5-7-18-16(15-11-19-20(4)12(15)3)13-8-14(21-6-2)10-17-9-13/h8-11,16,18H,5-7H2,1-4H3
InChIKeyNIKSIVOEUVJIJO-UHFFFAOYSA-N
XLogP2.61
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 ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1,5-dimethylpyrazol-4-yl)-(5-fluoro-3-pyridinyl)methyl]propan-1-amine
CID 105102033
N-[(2-chlorofuran-3-yl)-(5-ethoxy-3-pyridinyl)methyl]propan-1-amine
CID 106692879
N-[(3,4-difluorophenyl)-(1,5-dimethylpyrazol-4-yl)methyl]propan-1-amine
CID 105145523
1-(1,5-dimethylpyrazol-4-yl)-N-methyl-1-(5-propan-2-yloxy-3-pyridinyl)methanamine
CID 105176122
N-[(1,5-dimethylpyrazol-4-yl)-(3-propylphenyl)methyl]propan-1-amine
CID 105187854
N-[(5-ethoxy-3-pyridinyl)-(4-methoxythiophen-2-yl)methyl]propan-1-amine
CID 105026473
N-[(4-ethoxyphenyl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine
CID 105022903
1-(3,5-dimethylphenyl)-1-(5-ethoxy-3-pyridinyl)-N-methylmethanamine
CID 105026319
N-[(1,5-dimethylpyrazol-4-yl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine
CID 105178595
N-[(1,5-dimethylpyrazol-4-yl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine
CID 105148542
N-[(1,5-dimethylpyrazol-4-yl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]propan-1-amine
CID 79584851
N-[(5-methoxy-3-pyridinyl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine
CID 114878523

Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)-(5-ethoxy-3-pyridinyl)methyl]propan-1-amine?
The IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)-(5-ethoxy-3-pyridinyl)methyl]propan-1-amine (CID 105175445) is N-[(1,5-dimethylpyrazol-4-yl)-(5-ethoxy-3-pyridinyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(1,5-dimethylpyrazol-4-yl)-(5-ethoxy-3-pyridinyl)methyl]propan-1-amine?
The canonical SMILES for N-[(1,5-dimethylpyrazol-4-yl)-(5-ethoxy-3-pyridinyl)methyl]propan-1-amine is CCCNC(c1cncc(OCC)c1)c1cnn(C)c1C.
What is the InChIKey of N-[(1,5-dimethylpyrazol-4-yl)-(5-ethoxy-3-pyridinyl)methyl]propan-1-amine?
The InChIKey is NIKSIVOEUVJIJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-5-7-18-16(15-11-19-20(4)12(15)3)13-8-14(21-6-2)10-17-9-13/h8-11,16,18H,5-7H2,1-4H3.
What are the key properties of N-[(1,5-dimethylpyrazol-4-yl)-(5-ethoxy-3-pyridinyl)methyl]propan-1-amine?
N-[(1,5-dimethylpyrazol-4-yl)-(5-ethoxy-3-pyridinyl)methyl]propan-1-amine has a molecular weight of 288.40 g/mol, XLogP of 2.61, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylpyrazol-4-yl)-(5-ethoxy-3-pyridinyl)methyl]propan-1-amine is sourced from PubChem (CID 105175445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).