3-[4-[4-(cyclopentylmethoxy)-3-pyridinyl]pyrazol-1-yl]-N,4-dimethylaniline

C22H26N4O — CID 167147889

IUPAC3-[4-[4-(cyclopentylmethoxy)-3-pyridinyl]pyrazol-1-yl]-N,4-dimethylaniline
SMILESCNc1ccc(C)c(-n2cc(-c3cnccc3OCC3CCCC3)cn2)c1
InChIInChI=1S/C22H26N4O/c1-16-7-8-19(23-2)11-21(16)26-14-18(12-25-26)20-13-24-10-9-22(20)27-15-17-5-3-4-6-17/h7-14,17,23H,3-6,15H2,1-2H3
InChIKeyDDSRMUGZIUYMEY-UHFFFAOYSA-N
MW362.48 g/mol
LogP4.85
Rot. Bonds6

About 3-[4-[4-(cyclopentylmethoxy)-3-pyridinyl]pyrazol-1-yl]-N,4-dimethylaniline

3-[4-[4-(cyclopentylmethoxy)-3-pyridinyl]pyrazol-1-yl]-N,4-dimethylaniline (PubChem CID 167147889) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is 3-[4-[4-(cyclopentylmethoxy)-3-pyridinyl]pyrazol-1-yl]-N,4-dimethylaniline.

Molecular Properties

Compound Name3-[4-[4-(cyclopentylmethoxy)-3-pyridinyl]pyrazol-1-yl]-N,4-dimethylaniline
PubChem CID167147889
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC Name3-[4-[4-(cyclopentylmethoxy)-3-pyridinyl]pyrazol-1-yl]-N,4-dimethylaniline
SMILESCNc1ccc(C)c(-n2cc(-c3cnccc3OCC3CCCC3)cn2)c1
InChIInChI=1S/C22H26N4O/c1-16-7-8-19(23-2)11-21(16)26-14-18(12-25-26)20-13-24-10-9-22(20)27-15-17-5-3-4-6-17/h7-14,17,23H,3-6,15H2,1-2H3
InChIKeyDDSRMUGZIUYMEY-UHFFFAOYSA-N
XLogP4.85
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-(cyclopentylmethoxy)-3-pyridinyl]pyrazol-1-yl]-N,4-dimethylaniline?
The IUPAC name of 3-[4-[4-(cyclopentylmethoxy)-3-pyridinyl]pyrazol-1-yl]-N,4-dimethylaniline (CID 167147889) is 3-[4-[4-(cyclopentylmethoxy)-3-pyridinyl]pyrazol-1-yl]-N,4-dimethylaniline.
What is the SMILES notation for 3-[4-[4-(cyclopentylmethoxy)-3-pyridinyl]pyrazol-1-yl]-N,4-dimethylaniline?
The canonical SMILES for 3-[4-[4-(cyclopentylmethoxy)-3-pyridinyl]pyrazol-1-yl]-N,4-dimethylaniline is CNc1ccc(C)c(-n2cc(-c3cnccc3OCC3CCCC3)cn2)c1.
What is the InChIKey of 3-[4-[4-(cyclopentylmethoxy)-3-pyridinyl]pyrazol-1-yl]-N,4-dimethylaniline?
The InChIKey is DDSRMUGZIUYMEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O/c1-16-7-8-19(23-2)11-21(16)26-14-18(12-25-26)20-13-24-10-9-22(20)27-15-17-5-3-4-6-17/h7-14,17,23H,3-6,15H2,1-2H3.
What are the key properties of 3-[4-[4-(cyclopentylmethoxy)-3-pyridinyl]pyrazol-1-yl]-N,4-dimethylaniline?
3-[4-[4-(cyclopentylmethoxy)-3-pyridinyl]pyrazol-1-yl]-N,4-dimethylaniline has a molecular weight of 362.48 g/mol, XLogP of 4.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-(cyclopentylmethoxy)-3-pyridinyl]pyrazol-1-yl]-N,4-dimethylaniline is sourced from PubChem (CID 167147889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).