N-[1-(2-methylpyrazol-3-yl)ethyl]-3-pyrrolidin-1-ylaniline

C16H22N4 — CID 106757576

IUPACN-[1-(2-methylpyrazol-3-yl)ethyl]-3-pyrrolidin-1-ylaniline
SMILESCC(Nc1cccc(N2CCCC2)c1)c1ccnn1C
InChIInChI=1S/C16H22N4/c1-13(16-8-9-17-19(16)2)18-14-6-5-7-15(12-14)20-10-3-4-11-20/h5-9,12-13,18H,3-4,10-11H2,1-2H3
InChIKeyKGVPSBKNCRRKCX-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.19
Rot. Bonds4

About N-[1-(2-methylpyrazol-3-yl)ethyl]-3-pyrrolidin-1-ylaniline

N-[1-(2-methylpyrazol-3-yl)ethyl]-3-pyrrolidin-1-ylaniline (PubChem CID 106757576) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is N-[1-(2-methylpyrazol-3-yl)ethyl]-3-pyrrolidin-1-ylaniline.

Molecular Properties

Compound NameN-[1-(2-methylpyrazol-3-yl)ethyl]-3-pyrrolidin-1-ylaniline
PubChem CID106757576
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC NameN-[1-(2-methylpyrazol-3-yl)ethyl]-3-pyrrolidin-1-ylaniline
SMILESCC(Nc1cccc(N2CCCC2)c1)c1ccnn1C
InChIInChI=1S/C16H22N4/c1-13(16-8-9-17-19(16)2)18-14-6-5-7-15(12-14)20-10-3-4-11-20/h5-9,12-13,18H,3-4,10-11H2,1-2H3
InChIKeyKGVPSBKNCRRKCX-UHFFFAOYSA-N
XLogP3.19
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methylpyrazol-3-yl)ethyl]-3-pyrrolidin-1-ylaniline?
The IUPAC name of N-[1-(2-methylpyrazol-3-yl)ethyl]-3-pyrrolidin-1-ylaniline (CID 106757576) is N-[1-(2-methylpyrazol-3-yl)ethyl]-3-pyrrolidin-1-ylaniline.
What is the SMILES notation for N-[1-(2-methylpyrazol-3-yl)ethyl]-3-pyrrolidin-1-ylaniline?
The canonical SMILES for N-[1-(2-methylpyrazol-3-yl)ethyl]-3-pyrrolidin-1-ylaniline is CC(Nc1cccc(N2CCCC2)c1)c1ccnn1C.
What is the InChIKey of N-[1-(2-methylpyrazol-3-yl)ethyl]-3-pyrrolidin-1-ylaniline?
The InChIKey is KGVPSBKNCRRKCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-13(16-8-9-17-19(16)2)18-14-6-5-7-15(12-14)20-10-3-4-11-20/h5-9,12-13,18H,3-4,10-11H2,1-2H3.
What are the key properties of N-[1-(2-methylpyrazol-3-yl)ethyl]-3-pyrrolidin-1-ylaniline?
N-[1-(2-methylpyrazol-3-yl)ethyl]-3-pyrrolidin-1-ylaniline has a molecular weight of 270.38 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methylpyrazol-3-yl)ethyl]-3-pyrrolidin-1-ylaniline is sourced from PubChem (CID 106757576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).