N-[(1,5-dimethylpyrazol-4-yl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine

C14H21N5O — CID 105178595

IUPACN-[(1,5-dimethylpyrazol-4-yl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1cnn(C)c1C)c1nccnc1OC
InChIInChI=1S/C14H21N5O/c1-5-6-15-12(11-9-18-19(3)10(11)2)13-14(20-4)17-8-7-16-13/h7-9,12,15H,5-6H2,1-4H3
InChIKeyPSVYWVZTAUWUFA-UHFFFAOYSA-N
MW275.36 g/mol
LogP1.62
Rot. Bonds6

About N-[(1,5-dimethylpyrazol-4-yl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine

N-[(1,5-dimethylpyrazol-4-yl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine (PubChem CID 105178595) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrazol-4-yl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrazol-4-yl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine
PubChem CID105178595
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC NameN-[(1,5-dimethylpyrazol-4-yl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1cnn(C)c1C)c1nccnc1OC
InChIInChI=1S/C14H21N5O/c1-5-6-15-12(11-9-18-19(3)10(11)2)13-14(20-4)17-8-7-16-13/h7-9,12,15H,5-6H2,1-4H3
InChIKeyPSVYWVZTAUWUFA-UHFFFAOYSA-N
XLogP1.62
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(1,5-dimethylpyrazol-4-yl)-(3-methoxypyrazin-2-yl)methanol
CID 113421458
N-[(3-ethyl-1-methylpyrazol-4-yl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine
CID 102812782
N-[(3-ethyl-4-pyridinyl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine
CID 104516047
N-[(1,5-dimethylpyrazol-4-yl)-(2-methylpyrazol-3-yl)methyl]propan-1-amine
CID 105148542
N-[(3-methoxypyrazin-2-yl)-pyrimidin-5-ylmethyl]propan-1-amine
CID 102923780
N-[(3-methoxypyrazin-2-yl)-(thiadiazol-5-yl)methyl]propan-1-amine
CID 105178702
N-[(4-bromo-2-methylphenyl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine
CID 105031988
N-[(2-chloro-3-methylphenyl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine
CID 105032207
N-[(3,4-dimethylphenyl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine
CID 105032115
N-[(3-chloro-5-methylphenyl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine
CID 105031892
N-[(3-methoxypyrazin-2-yl)-(5-methylthiophen-2-yl)methyl]propan-1-amine
CID 105031971
N-[(1,5-dimethylpyrazol-4-yl)-(5-ethoxy-3-pyridinyl)methyl]propan-1-amine
CID 105175445

Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine (CID 105178595) is N-[(1,5-dimethylpyrazol-4-yl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(1,5-dimethylpyrazol-4-yl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(1,5-dimethylpyrazol-4-yl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine is CCCNC(c1cnn(C)c1C)c1nccnc1OC.
What is the InChIKey of N-[(1,5-dimethylpyrazol-4-yl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine?
The InChIKey is PSVYWVZTAUWUFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-5-6-15-12(11-9-18-19(3)10(11)2)13-14(20-4)17-8-7-16-13/h7-9,12,15H,5-6H2,1-4H3.
What are the key properties of N-[(1,5-dimethylpyrazol-4-yl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine?
N-[(1,5-dimethylpyrazol-4-yl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine has a molecular weight of 275.36 g/mol, XLogP of 1.62, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylpyrazol-4-yl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 105178595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).