[1-(methylamino)-3-(4-phenylpyrazol-1-yl)cyclopentyl]methanol

C16H21N3O — CID 79647766

IUPAC[1-(methylamino)-3-(4-phenylpyrazol-1-yl)cyclopentyl]methanol
SMILESCNC1(CO)CCC(n2cc(-c3ccccc3)cn2)C1
InChIInChI=1S/C16H21N3O/c1-17-16(12-20)8-7-15(9-16)19-11-14(10-18-19)13-5-3-2-4-6-13/h2-6,10-11,15,17,20H,7-9,12H2,1H3
InChIKeyAGFKVICPMDAEBH-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.23
Rot. Bonds4

About [1-(methylamino)-3-(4-phenylpyrazol-1-yl)cyclopentyl]methanol

[1-(methylamino)-3-(4-phenylpyrazol-1-yl)cyclopentyl]methanol (PubChem CID 79647766) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is [1-(methylamino)-3-(4-phenylpyrazol-1-yl)cyclopentyl]methanol.

Molecular Properties

Compound Name[1-(methylamino)-3-(4-phenylpyrazol-1-yl)cyclopentyl]methanol
PubChem CID79647766
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name[1-(methylamino)-3-(4-phenylpyrazol-1-yl)cyclopentyl]methanol
SMILESCNC1(CO)CCC(n2cc(-c3ccccc3)cn2)C1
InChIInChI=1S/C16H21N3O/c1-17-16(12-20)8-7-15(9-16)19-11-14(10-18-19)13-5-3-2-4-6-13/h2-6,10-11,15,17,20H,7-9,12H2,1H3
InChIKeyAGFKVICPMDAEBH-UHFFFAOYSA-N
XLogP2.23
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(methylamino)-3-(4-phenylpyrazol-1-yl)cyclopentyl]methanol?
The IUPAC name of [1-(methylamino)-3-(4-phenylpyrazol-1-yl)cyclopentyl]methanol (CID 79647766) is [1-(methylamino)-3-(4-phenylpyrazol-1-yl)cyclopentyl]methanol.
What is the SMILES notation for [1-(methylamino)-3-(4-phenylpyrazol-1-yl)cyclopentyl]methanol?
The canonical SMILES for [1-(methylamino)-3-(4-phenylpyrazol-1-yl)cyclopentyl]methanol is CNC1(CO)CCC(n2cc(-c3ccccc3)cn2)C1.
What is the InChIKey of [1-(methylamino)-3-(4-phenylpyrazol-1-yl)cyclopentyl]methanol?
The InChIKey is AGFKVICPMDAEBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-17-16(12-20)8-7-15(9-16)19-11-14(10-18-19)13-5-3-2-4-6-13/h2-6,10-11,15,17,20H,7-9,12H2,1H3.
What are the key properties of [1-(methylamino)-3-(4-phenylpyrazol-1-yl)cyclopentyl]methanol?
[1-(methylamino)-3-(4-phenylpyrazol-1-yl)cyclopentyl]methanol has a molecular weight of 271.36 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(methylamino)-3-(4-phenylpyrazol-1-yl)cyclopentyl]methanol is sourced from PubChem (CID 79647766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).