N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-phenylpropan-1-amine

C16H23N3 — CID 19626564

IUPACN-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-phenylpropan-1-amine
SMILESCCn1cc(CNCC(C)c2ccccc2)c(C)n1
InChIInChI=1S/C16H23N3/c1-4-19-12-16(14(3)18-19)11-17-10-13(2)15-8-6-5-7-9-15/h5-9,12-13,17H,4,10-11H2,1-3H3
InChIKeyBRNADCMAZJMKEG-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.10
Rot. Bonds6

About N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-phenylpropan-1-amine

N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-phenylpropan-1-amine (PubChem CID 19626564) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-phenylpropan-1-amine.

Molecular Properties

Compound NameN-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-phenylpropan-1-amine
PubChem CID19626564
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC NameN-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-phenylpropan-1-amine
SMILESCCn1cc(CNCC(C)c2ccccc2)c(C)n1
InChIInChI=1S/C16H23N3/c1-4-19-12-16(14(3)18-19)11-17-10-13(2)15-8-6-5-7-9-15/h5-9,12-13,17H,4,10-11H2,1-3H3
InChIKeyBRNADCMAZJMKEG-UHFFFAOYSA-N
XLogP3.10
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 ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-phenylpropan-1-amine?
The IUPAC name of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-phenylpropan-1-amine (CID 19626564) is N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-phenylpropan-1-amine.
What is the SMILES notation for N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-phenylpropan-1-amine?
The canonical SMILES for N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-phenylpropan-1-amine is CCn1cc(CNCC(C)c2ccccc2)c(C)n1.
What is the InChIKey of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-phenylpropan-1-amine?
The InChIKey is BRNADCMAZJMKEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-4-19-12-16(14(3)18-19)11-17-10-13(2)15-8-6-5-7-9-15/h5-9,12-13,17H,4,10-11H2,1-3H3.
What are the key properties of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-phenylpropan-1-amine?
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-phenylpropan-1-amine has a molecular weight of 257.38 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-phenylpropan-1-amine is sourced from PubChem (CID 19626564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).