N-[(3-methoxy-4-pyridinyl)-(1-propylpyrazol-4-yl)methyl]propan-1-amine

C16H24N4O — CID 105065275

IUPACN-[(3-methoxy-4-pyridinyl)-(1-propylpyrazol-4-yl)methyl]propan-1-amine
SMILESCCCNC(c1cnn(CCC)c1)c1ccncc1OC
InChIInChI=1S/C16H24N4O/c1-4-7-18-16(13-10-19-20(12-13)9-5-2)14-6-8-17-11-15(14)21-3/h6,8,10-12,16,18H,4-5,7,9H2,1-3H3
InChIKeySXHWMESGGMJLKK-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.79
Rot. Bonds8

About N-[(3-methoxy-4-pyridinyl)-(1-propylpyrazol-4-yl)methyl]propan-1-amine

N-[(3-methoxy-4-pyridinyl)-(1-propylpyrazol-4-yl)methyl]propan-1-amine (PubChem CID 105065275) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is N-[(3-methoxy-4-pyridinyl)-(1-propylpyrazol-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-methoxy-4-pyridinyl)-(1-propylpyrazol-4-yl)methyl]propan-1-amine
PubChem CID105065275
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC NameN-[(3-methoxy-4-pyridinyl)-(1-propylpyrazol-4-yl)methyl]propan-1-amine
SMILESCCCNC(c1cnn(CCC)c1)c1ccncc1OC
InChIInChI=1S/C16H24N4O/c1-4-7-18-16(13-10-19-20(12-13)9-5-2)14-6-8-17-11-15(14)21-3/h6,8,10-12,16,18H,4-5,7,9H2,1-3H3
InChIKeySXHWMESGGMJLKK-UHFFFAOYSA-N
XLogP2.79
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-methoxy-4-pyridinyl)-(1-propylimidazol-2-yl)methyl]propan-1-amine
CID 105064357
N-[(3-methoxy-4-pyridinyl)-(1-methylimidazol-2-yl)methyl]propan-1-amine
CID 105064351
N-[(3-fluorophenyl)-(3-methoxy-4-pyridinyl)methyl]propan-1-amine
CID 105065219
3-[(1-methylpyrazol-4-yl)-(propylamino)methyl]pyridin-4-amine
CID 65200715
N-[(5-methylfuran-2-yl)-(1-propylpyrazol-4-yl)methyl]propan-1-amine
CID 115807959
N-[(3-chloro-2-methylphenyl)-(1-propylpyrazol-4-yl)methyl]propan-1-amine
CID 107102084
N-[(3,6-dimethylpyridazin-4-yl)-(1-propylpyrazol-4-yl)methyl]propan-1-amine
CID 105104037
N-[(2-bromo-5-fluorophenyl)-(1-propylpyrazol-4-yl)methyl]propan-1-amine
CID 115808137
N-[(2,3-difluorophenyl)-(3-methoxy-4-pyridinyl)methyl]propan-1-amine
CID 105065627
N-[(3-chloro-4-pyridinyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]propan-1-amine
CID 105186345
1-(2,5-dimethoxyphenyl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine
CID 115808111
N-[(2-fluoro-5-methylphenyl)-(3-methoxy-4-pyridinyl)methyl]propan-1-amine
CID 105065520

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxy-4-pyridinyl)-(1-propylpyrazol-4-yl)methyl]propan-1-amine?
The IUPAC name of N-[(3-methoxy-4-pyridinyl)-(1-propylpyrazol-4-yl)methyl]propan-1-amine (CID 105065275) is N-[(3-methoxy-4-pyridinyl)-(1-propylpyrazol-4-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3-methoxy-4-pyridinyl)-(1-propylpyrazol-4-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(3-methoxy-4-pyridinyl)-(1-propylpyrazol-4-yl)methyl]propan-1-amine is CCCNC(c1cnn(CCC)c1)c1ccncc1OC.
What is the InChIKey of N-[(3-methoxy-4-pyridinyl)-(1-propylpyrazol-4-yl)methyl]propan-1-amine?
The InChIKey is SXHWMESGGMJLKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-4-7-18-16(13-10-19-20(12-13)9-5-2)14-6-8-17-11-15(14)21-3/h6,8,10-12,16,18H,4-5,7,9H2,1-3H3.
What are the key properties of N-[(3-methoxy-4-pyridinyl)-(1-propylpyrazol-4-yl)methyl]propan-1-amine?
N-[(3-methoxy-4-pyridinyl)-(1-propylpyrazol-4-yl)methyl]propan-1-amine has a molecular weight of 288.39 g/mol, XLogP of 2.79, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxy-4-pyridinyl)-(1-propylpyrazol-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 105065275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).