N-[(1-cyclopentylpyrazol-3-yl)methyl]-4-methylaniline

C16H21N3 — CID 19626027

IUPACN-[(1-cyclopentylpyrazol-3-yl)methyl]-4-methylaniline
SMILESCc1ccc(NCc2ccn(C3CCCC3)n2)cc1
InChIInChI=1S/C16H21N3/c1-13-6-8-14(9-7-13)17-12-15-10-11-19(18-15)16-4-2-3-5-16/h6-11,16-17H,2-5,12H2,1H3
InChIKeyKEDLOBPBIVDGKT-UHFFFAOYSA-N
MW255.37 g/mol
LogP3.92
Rot. Bonds4

About N-[(1-cyclopentylpyrazol-3-yl)methyl]-4-methylaniline

N-[(1-cyclopentylpyrazol-3-yl)methyl]-4-methylaniline (PubChem CID 19626027) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is N-[(1-cyclopentylpyrazol-3-yl)methyl]-4-methylaniline.

Molecular Properties

Compound NameN-[(1-cyclopentylpyrazol-3-yl)methyl]-4-methylaniline
PubChem CID19626027
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC NameN-[(1-cyclopentylpyrazol-3-yl)methyl]-4-methylaniline
SMILESCc1ccc(NCc2ccn(C3CCCC3)n2)cc1
InChIInChI=1S/C16H21N3/c1-13-6-8-14(9-7-13)17-12-15-10-11-19(18-15)16-4-2-3-5-16/h6-11,16-17H,2-5,12H2,1H3
InChIKeyKEDLOBPBIVDGKT-UHFFFAOYSA-N
XLogP3.92
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopentylpyrazol-3-yl)methyl]-4-methylaniline?
The IUPAC name of N-[(1-cyclopentylpyrazol-3-yl)methyl]-4-methylaniline (CID 19626027) is N-[(1-cyclopentylpyrazol-3-yl)methyl]-4-methylaniline.
What is the SMILES notation for N-[(1-cyclopentylpyrazol-3-yl)methyl]-4-methylaniline?
The canonical SMILES for N-[(1-cyclopentylpyrazol-3-yl)methyl]-4-methylaniline is Cc1ccc(NCc2ccn(C3CCCC3)n2)cc1.
What is the InChIKey of N-[(1-cyclopentylpyrazol-3-yl)methyl]-4-methylaniline?
The InChIKey is KEDLOBPBIVDGKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-13-6-8-14(9-7-13)17-12-15-10-11-19(18-15)16-4-2-3-5-16/h6-11,16-17H,2-5,12H2,1H3.
What are the key properties of N-[(1-cyclopentylpyrazol-3-yl)methyl]-4-methylaniline?
N-[(1-cyclopentylpyrazol-3-yl)methyl]-4-methylaniline has a molecular weight of 255.37 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopentylpyrazol-3-yl)methyl]-4-methylaniline is sourced from PubChem (CID 19626027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).