1-(1,3-diethylpyrazol-5-yl)-N-methyl-2-phenylethanamine

C16H23N3 — CID 105084399

IUPAC1-(1,3-diethylpyrazol-5-yl)-N-methyl-2-phenylethanamine
SMILESCCc1cc(C(Cc2ccccc2)NC)n(CC)n1
InChIInChI=1S/C16H23N3/c1-4-14-12-16(19(5-2)18-14)15(17-3)11-13-9-7-6-8-10-13/h6-10,12,15,17H,4-5,11H2,1-3H3
InChIKeyNSMWICXTNDDNLU-UHFFFAOYSA-N
MW257.38 g/mol
LogP2.97
Rot. Bonds6

About 1-(1,3-diethylpyrazol-5-yl)-N-methyl-2-phenylethanamine

1-(1,3-diethylpyrazol-5-yl)-N-methyl-2-phenylethanamine (PubChem CID 105084399) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 1-(1,3-diethylpyrazol-5-yl)-N-methyl-2-phenylethanamine.

Molecular Properties

Compound Name1-(1,3-diethylpyrazol-5-yl)-N-methyl-2-phenylethanamine
PubChem CID105084399
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name1-(1,3-diethylpyrazol-5-yl)-N-methyl-2-phenylethanamine
SMILESCCc1cc(C(Cc2ccccc2)NC)n(CC)n1
InChIInChI=1S/C16H23N3/c1-4-14-12-16(19(5-2)18-14)15(17-3)11-13-9-7-6-8-10-13/h6-10,12,15,17H,4-5,11H2,1-3H3
InChIKeyNSMWICXTNDDNLU-UHFFFAOYSA-N
XLogP2.97
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,3-diethylpyrazol-5-yl)-N-methyl-2-pyridin-4-ylethanamine
CID 105160538
1-(1,3-diethylpyrazol-5-yl)-2-(3,4-dimethylphenyl)-N-methylethanamine
CID 105109456
2-(4-chloro-3-fluorophenyl)-1-(1,3-diethylpyrazol-5-yl)-N-methylethanamine
CID 107891586
2-(3-bromo-5-fluorophenyl)-1-(1,3-diethylpyrazol-5-yl)-N-methylethanamine
CID 105169332
1-(1,3-diethylpyrazol-5-yl)-N,3-dimethylbutan-1-amine
CID 105082907
1-(1,3-diethylpyrazol-5-yl)-N-ethyl-2-(4-iodophenyl)ethanamine
CID 105151896
2-(2-chloro-4-methylphenyl)-1-(1,3-diethylpyrazol-5-yl)-N-methylethanamine
CID 106867142
1-(1,3-diethylpyrazol-5-yl)-N-methylpent-3-yn-1-amine
CID 105111927
N-ethyl-1-(2-ethyl-5-methylpyrazol-3-yl)-2-phenylethanamine
CID 105085053
1-(1,3-diethylpyrazol-5-yl)-3-phenylpropan-1-amine
CID 105093971
1-(1,3-diethylpyrazol-5-yl)-N-methyl-4-methylsulfonylbutan-1-amine
CID 105112856
1,3-diethyl-5-propan-2-ylpyrazole
CID 118564106

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-diethylpyrazol-5-yl)-N-methyl-2-phenylethanamine?
The IUPAC name of 1-(1,3-diethylpyrazol-5-yl)-N-methyl-2-phenylethanamine (CID 105084399) is 1-(1,3-diethylpyrazol-5-yl)-N-methyl-2-phenylethanamine.
What is the SMILES notation for 1-(1,3-diethylpyrazol-5-yl)-N-methyl-2-phenylethanamine?
The canonical SMILES for 1-(1,3-diethylpyrazol-5-yl)-N-methyl-2-phenylethanamine is CCc1cc(C(Cc2ccccc2)NC)n(CC)n1.
What is the InChIKey of 1-(1,3-diethylpyrazol-5-yl)-N-methyl-2-phenylethanamine?
The InChIKey is NSMWICXTNDDNLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-4-14-12-16(19(5-2)18-14)15(17-3)11-13-9-7-6-8-10-13/h6-10,12,15,17H,4-5,11H2,1-3H3.
What are the key properties of 1-(1,3-diethylpyrazol-5-yl)-N-methyl-2-phenylethanamine?
1-(1,3-diethylpyrazol-5-yl)-N-methyl-2-phenylethanamine has a molecular weight of 257.38 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-diethylpyrazol-5-yl)-N-methyl-2-phenylethanamine is sourced from PubChem (CID 105084399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).