N-[(2-ethylpyrazol-3-yl)-(2-methyloxan-2-yl)methyl]propan-1-amine

C15H27N3O — CID 80684949

IUPACN-[(2-ethylpyrazol-3-yl)-(2-methyloxan-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccnn1CC)C1(C)CCCCO1
InChIInChI=1S/C15H27N3O/c1-4-10-16-14(13-8-11-17-18(13)5-2)15(3)9-6-7-12-19-15/h8,11,14,16H,4-7,9-10,12H2,1-3H3
InChIKeyXFBFZMVZHWYNQW-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.90
Rot. Bonds6

About N-[(2-ethylpyrazol-3-yl)-(2-methyloxan-2-yl)methyl]propan-1-amine

N-[(2-ethylpyrazol-3-yl)-(2-methyloxan-2-yl)methyl]propan-1-amine (PubChem CID 80684949) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is N-[(2-ethylpyrazol-3-yl)-(2-methyloxan-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-ethylpyrazol-3-yl)-(2-methyloxan-2-yl)methyl]propan-1-amine
PubChem CID80684949
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC NameN-[(2-ethylpyrazol-3-yl)-(2-methyloxan-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccnn1CC)C1(C)CCCCO1
InChIInChI=1S/C15H27N3O/c1-4-10-16-14(13-8-11-17-18(13)5-2)15(3)9-6-7-12-19-15/h8,11,14,16H,4-7,9-10,12H2,1-3H3
InChIKeyXFBFZMVZHWYNQW-UHFFFAOYSA-N
XLogP2.90
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-ethylpyrazol-3-yl)-(1-methylcyclohexyl)methyl]ethanamine
CID 106830099
N-[furan-3-yl-(2-methyloxan-2-yl)methyl]propan-1-amine
CID 80684788
[(2-ethylpyrazol-3-yl)-(1-methylcyclohexyl)methyl]hydrazine
CID 106831218
(2-methyloxan-2-yl)-(2-propylpyrazol-3-yl)methanamine
CID 80683782
(2-ethylpyrazol-3-yl)-(1-methylcyclohexyl)methanol
CID 106830881
N-[(2-ethylpyrazol-3-yl)-(1-methoxycycloheptyl)methyl]ethanamine
CID 116770400
1-[(2-ethylpyrazol-3-yl)-hydrazinylmethyl]-N,N-dimethylcycloheptan-1-amine
CID 105243858
[(2-ethylpyrazol-3-yl)-(1-methylcyclopropyl)methyl]hydrazine
CID 105253445
N-[1-(2-methyloxan-2-yl)-2-pyridin-4-ylethyl]propan-1-amine
CID 80685111
N-[(2-ethylpyrazol-3-yl)-phenylmethyl]propan-1-amine
CID 63976584
[(2-ethylpyrazol-3-yl)-(1-phenylcyclopentyl)methyl]hydrazine
CID 105217491
1-(2-methyloxan-2-yl)-3-phenyl-N-propylpropan-1-amine
CID 80684951

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylpyrazol-3-yl)-(2-methyloxan-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(2-ethylpyrazol-3-yl)-(2-methyloxan-2-yl)methyl]propan-1-amine (CID 80684949) is N-[(2-ethylpyrazol-3-yl)-(2-methyloxan-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2-ethylpyrazol-3-yl)-(2-methyloxan-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(2-ethylpyrazol-3-yl)-(2-methyloxan-2-yl)methyl]propan-1-amine is CCCNC(c1ccnn1CC)C1(C)CCCCO1.
What is the InChIKey of N-[(2-ethylpyrazol-3-yl)-(2-methyloxan-2-yl)methyl]propan-1-amine?
The InChIKey is XFBFZMVZHWYNQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-4-10-16-14(13-8-11-17-18(13)5-2)15(3)9-6-7-12-19-15/h8,11,14,16H,4-7,9-10,12H2,1-3H3.
What are the key properties of N-[(2-ethylpyrazol-3-yl)-(2-methyloxan-2-yl)methyl]propan-1-amine?
N-[(2-ethylpyrazol-3-yl)-(2-methyloxan-2-yl)methyl]propan-1-amine has a molecular weight of 265.40 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethylpyrazol-3-yl)-(2-methyloxan-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 80684949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).