2-phenyl-2-[4-(1H-pyrazol-4-yl)phenyl]ethanamine

C17H17N3 — CID 11196322

IUPAC2-phenyl-2-[4-(1H-pyrazol-4-yl)phenyl]ethanamine
SMILESNCC(c1ccccc1)c1ccc(-c2cn[nH]c2)cc1
InChIInChI=1S/C17H17N3/c18-10-17(14-4-2-1-3-5-14)15-8-6-13(7-9-15)16-11-19-20-12-16/h1-9,11-12,17H,10,18H2,(H,19,20)
InChIKeyMWSMBSLUKDQMPK-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.17
Rot. Bonds4

About 2-phenyl-2-[4-(1H-pyrazol-4-yl)phenyl]ethanamine

2-phenyl-2-[4-(1H-pyrazol-4-yl)phenyl]ethanamine (PubChem CID 11196322) has the molecular formula C17H17N3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-phenyl-2-[4-(1H-pyrazol-4-yl)phenyl]ethanamine.

Molecular Properties

Compound Name2-phenyl-2-[4-(1H-pyrazol-4-yl)phenyl]ethanamine
PubChem CID11196322
Molecular FormulaC17H17N3
Molecular Weight263.34 g/mol
Exact Mass263.14
IUPAC Name2-phenyl-2-[4-(1H-pyrazol-4-yl)phenyl]ethanamine
SMILESNCC(c1ccccc1)c1ccc(-c2cn[nH]c2)cc1
InChIInChI=1S/C17H17N3/c18-10-17(14-4-2-1-3-5-14)15-8-6-13(7-9-15)16-11-19-20-12-16/h1-9,11-12,17H,10,18H2,(H,19,20)
InChIKeyMWSMBSLUKDQMPK-UHFFFAOYSA-N
XLogP3.17
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

CID 5212048
CID 5212048
CID 139106
CID 139106
CID 139601
CID 139601
CID 15602982
CID 15602982
CID 15602983
CID 15602983
CID 2806015
CID 2806015
CID 283921
CID 283921
CID 11312547
CID 11312547
CID 11738219
CID 11738219
CID 16122634
CID 16122634
CID 2725023
CID 2725023
CID 13977013
CID 13977013

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-[4-(1H-pyrazol-4-yl)phenyl]ethanamine?
The IUPAC name of 2-phenyl-2-[4-(1H-pyrazol-4-yl)phenyl]ethanamine (CID 11196322) is 2-phenyl-2-[4-(1H-pyrazol-4-yl)phenyl]ethanamine.
What is the SMILES notation for 2-phenyl-2-[4-(1H-pyrazol-4-yl)phenyl]ethanamine?
The canonical SMILES for 2-phenyl-2-[4-(1H-pyrazol-4-yl)phenyl]ethanamine is NCC(c1ccccc1)c1ccc(-c2cn[nH]c2)cc1.
What is the InChIKey of 2-phenyl-2-[4-(1H-pyrazol-4-yl)phenyl]ethanamine?
The InChIKey is MWSMBSLUKDQMPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3/c18-10-17(14-4-2-1-3-5-14)15-8-6-13(7-9-15)16-11-19-20-12-16/h1-9,11-12,17H,10,18H2,(H,19,20).
What are the key properties of 2-phenyl-2-[4-(1H-pyrazol-4-yl)phenyl]ethanamine?
2-phenyl-2-[4-(1H-pyrazol-4-yl)phenyl]ethanamine has a molecular weight of 263.34 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-[4-(1H-pyrazol-4-yl)phenyl]ethanamine is sourced from PubChem (CID 11196322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).