2-[3-(5-methyl-1H-pyrazol-4-yl)phenyl]-1-phenylethanamine

C18H19N3 — CID 143374133

IUPAC2-[3-(5-methyl-1H-pyrazol-4-yl)phenyl]-1-phenylethanamine
SMILESCc1[nH]ncc1-c1cccc(CC(N)c2ccccc2)c1
InChIInChI=1S/C18H19N3/c1-13-17(12-20-21-13)16-9-5-6-14(10-16)11-18(19)15-7-3-2-4-8-15/h2-10,12,18H,11,19H2,1H3,(H,20,21)
InChIKeyCMJZBRTVTMPCTL-UHFFFAOYSA-N
MW277.37 g/mol
LogP3.63
Rot. Bonds4

About 2-[3-(5-methyl-1H-pyrazol-4-yl)phenyl]-1-phenylethanamine

2-[3-(5-methyl-1H-pyrazol-4-yl)phenyl]-1-phenylethanamine (PubChem CID 143374133) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-[3-(5-methyl-1H-pyrazol-4-yl)phenyl]-1-phenylethanamine.

Molecular Properties

Compound Name2-[3-(5-methyl-1H-pyrazol-4-yl)phenyl]-1-phenylethanamine
PubChem CID143374133
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC Name2-[3-(5-methyl-1H-pyrazol-4-yl)phenyl]-1-phenylethanamine
SMILESCc1[nH]ncc1-c1cccc(CC(N)c2ccccc2)c1
InChIInChI=1S/C18H19N3/c1-13-17(12-20-21-13)16-9-5-6-14(10-16)11-18(19)15-7-3-2-4-8-15/h2-10,12,18H,11,19H2,1H3,(H,20,21)
InChIKeyCMJZBRTVTMPCTL-UHFFFAOYSA-N
XLogP3.63
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(5-methyl-1H-pyrazol-4-yl)phenyl]-1-phenylethanamine?
The IUPAC name of 2-[3-(5-methyl-1H-pyrazol-4-yl)phenyl]-1-phenylethanamine (CID 143374133) is 2-[3-(5-methyl-1H-pyrazol-4-yl)phenyl]-1-phenylethanamine.
What is the SMILES notation for 2-[3-(5-methyl-1H-pyrazol-4-yl)phenyl]-1-phenylethanamine?
The canonical SMILES for 2-[3-(5-methyl-1H-pyrazol-4-yl)phenyl]-1-phenylethanamine is Cc1[nH]ncc1-c1cccc(CC(N)c2ccccc2)c1.
What is the InChIKey of 2-[3-(5-methyl-1H-pyrazol-4-yl)phenyl]-1-phenylethanamine?
The InChIKey is CMJZBRTVTMPCTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3/c1-13-17(12-20-21-13)16-9-5-6-14(10-16)11-18(19)15-7-3-2-4-8-15/h2-10,12,18H,11,19H2,1H3,(H,20,21).
What are the key properties of 2-[3-(5-methyl-1H-pyrazol-4-yl)phenyl]-1-phenylethanamine?
2-[3-(5-methyl-1H-pyrazol-4-yl)phenyl]-1-phenylethanamine has a molecular weight of 277.37 g/mol, XLogP of 3.63, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(5-methyl-1H-pyrazol-4-yl)phenyl]-1-phenylethanamine is sourced from PubChem (CID 143374133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).