2-[1-[4-(pyrrolidin-1-ylmethyl)phenyl]pyrazol-4-yl]ethanol

C16H21N3O — CID 50949483

IUPAC2-[1-[4-(pyrrolidin-1-ylmethyl)phenyl]pyrazol-4-yl]ethanol
SMILESOCCc1cnn(-c2ccc(CN3CCCC3)cc2)c1
InChIInChI=1S/C16H21N3O/c20-10-7-15-11-17-19(13-15)16-5-3-14(4-6-16)12-18-8-1-2-9-18/h3-6,11,13,20H,1-2,7-10,12H2
InChIKeyUFOYNQLWRDUWRF-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.00
Rot. Bonds5

About 2-[1-[4-(pyrrolidin-1-ylmethyl)phenyl]pyrazol-4-yl]ethanol

2-[1-[4-(pyrrolidin-1-ylmethyl)phenyl]pyrazol-4-yl]ethanol (PubChem CID 50949483) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-[1-[4-(pyrrolidin-1-ylmethyl)phenyl]pyrazol-4-yl]ethanol.

Molecular Properties

Compound Name2-[1-[4-(pyrrolidin-1-ylmethyl)phenyl]pyrazol-4-yl]ethanol
PubChem CID50949483
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name2-[1-[4-(pyrrolidin-1-ylmethyl)phenyl]pyrazol-4-yl]ethanol
SMILESOCCc1cnn(-c2ccc(CN3CCCC3)cc2)c1
InChIInChI=1S/C16H21N3O/c20-10-7-15-11-17-19(13-15)16-5-3-14(4-6-16)12-18-8-1-2-9-18/h3-6,11,13,20H,1-2,7-10,12H2
InChIKeyUFOYNQLWRDUWRF-UHFFFAOYSA-N
XLogP2.00
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(azetidin-1-ylmethyl)-1-(4-propan-2-ylphenyl)pyrazole
CID 77090296
(4R)-1-[[1-(4-butylphenyl)pyrazol-4-yl]methyl]-4-(hydroxymethyl)azepan-4-ol
CID 95713969
2-[4-[[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]piperazin-1-yl]ethanol
CID 135659014
2-[4-(4-bromopyrazol-1-yl)phenyl]ethanol
CID 117420978
1-ethyl-3-[2-(1-phenylpyrazol-4-yl)ethyl]-2-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111393928
2-[4-[(1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]acetic acid
CID 119135361
3-(1-phenylpyrazol-4-yl)-1-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]propan-1-one
CID 75524878
3-[methyl-[1-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-yl]amino]propan-1-ol
CID 111381422
N-[(1S)-1-[4-[4-(2-hydroxyethyl)pyrazol-1-yl]phenyl]ethyl]acetamide
CID 95121862
1-(4-benzylpiperazin-1-yl)-2-(1-phenylpyrazol-4-yl)ethanone
CID 16620987
3-[1-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-yl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
CID 56899840
1-methyl-4-[[1-(4-phenylphenyl)pyrazol-4-yl]methyl]piperazine
CID 126605115

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(pyrrolidin-1-ylmethyl)phenyl]pyrazol-4-yl]ethanol?
The IUPAC name of 2-[1-[4-(pyrrolidin-1-ylmethyl)phenyl]pyrazol-4-yl]ethanol (CID 50949483) is 2-[1-[4-(pyrrolidin-1-ylmethyl)phenyl]pyrazol-4-yl]ethanol.
What is the SMILES notation for 2-[1-[4-(pyrrolidin-1-ylmethyl)phenyl]pyrazol-4-yl]ethanol?
The canonical SMILES for 2-[1-[4-(pyrrolidin-1-ylmethyl)phenyl]pyrazol-4-yl]ethanol is OCCc1cnn(-c2ccc(CN3CCCC3)cc2)c1.
What is the InChIKey of 2-[1-[4-(pyrrolidin-1-ylmethyl)phenyl]pyrazol-4-yl]ethanol?
The InChIKey is UFOYNQLWRDUWRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c20-10-7-15-11-17-19(13-15)16-5-3-14(4-6-16)12-18-8-1-2-9-18/h3-6,11,13,20H,1-2,7-10,12H2.
What are the key properties of 2-[1-[4-(pyrrolidin-1-ylmethyl)phenyl]pyrazol-4-yl]ethanol?
2-[1-[4-(pyrrolidin-1-ylmethyl)phenyl]pyrazol-4-yl]ethanol has a molecular weight of 271.36 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(pyrrolidin-1-ylmethyl)phenyl]pyrazol-4-yl]ethanol is sourced from PubChem (CID 50949483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).