N-[2-(3-phenylpyrazol-1-yl)ethyl]pyrrolidine-1-carboxamide

C16H20N4O — CID 123583803

IUPACN-[2-(3-phenylpyrazol-1-yl)ethyl]pyrrolidine-1-carboxamide
SMILESO=C(NCCn1ccc(-c2ccccc2)n1)N1CCCC1
InChIInChI=1S/C16H20N4O/c21-16(19-10-4-5-11-19)17-9-13-20-12-8-15(18-20)14-6-2-1-3-7-14/h1-3,6-8,12H,4-5,9-11,13H2,(H,17,21)
InChIKeyYYJKVGFVIUSRPP-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.36
Rot. Bonds4

About N-[2-(3-phenylpyrazol-1-yl)ethyl]pyrrolidine-1-carboxamide

N-[2-(3-phenylpyrazol-1-yl)ethyl]pyrrolidine-1-carboxamide (PubChem CID 123583803) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is N-[2-(3-phenylpyrazol-1-yl)ethyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(3-phenylpyrazol-1-yl)ethyl]pyrrolidine-1-carboxamide
PubChem CID123583803
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC NameN-[2-(3-phenylpyrazol-1-yl)ethyl]pyrrolidine-1-carboxamide
SMILESO=C(NCCn1ccc(-c2ccccc2)n1)N1CCCC1
InChIInChI=1S/C16H20N4O/c21-16(19-10-4-5-11-19)17-9-13-20-12-8-15(18-20)14-6-2-1-3-7-14/h1-3,6-8,12H,4-5,9-11,13H2,(H,17,21)
InChIKeyYYJKVGFVIUSRPP-UHFFFAOYSA-N
XLogP2.36
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-phenylpyrazol-1-yl)ethyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[2-(3-phenylpyrazol-1-yl)ethyl]pyrrolidine-1-carboxamide (CID 123583803) is N-[2-(3-phenylpyrazol-1-yl)ethyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[2-(3-phenylpyrazol-1-yl)ethyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[2-(3-phenylpyrazol-1-yl)ethyl]pyrrolidine-1-carboxamide is O=C(NCCn1ccc(-c2ccccc2)n1)N1CCCC1.
What is the InChIKey of N-[2-(3-phenylpyrazol-1-yl)ethyl]pyrrolidine-1-carboxamide?
The InChIKey is YYJKVGFVIUSRPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c21-16(19-10-4-5-11-19)17-9-13-20-12-8-15(18-20)14-6-2-1-3-7-14/h1-3,6-8,12H,4-5,9-11,13H2,(H,17,21).
What are the key properties of N-[2-(3-phenylpyrazol-1-yl)ethyl]pyrrolidine-1-carboxamide?
N-[2-(3-phenylpyrazol-1-yl)ethyl]pyrrolidine-1-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-phenylpyrazol-1-yl)ethyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 123583803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).