2-[4-[3-[(1S)-1-pyrrolidin-1-ylethyl]phenyl]pyrazol-1-yl]ethanol

C17H23N3O — CID 126449869

IUPAC2-[4-[3-[(1S)-1-pyrrolidin-1-ylethyl]phenyl]pyrazol-1-yl]ethanol
SMILESC[C@@H](c1cccc(-c2cnn(CCO)c2)c1)N1CCCC1
InChIInChI=1S/C17H23N3O/c1-14(19-7-2-3-8-19)15-5-4-6-16(11-15)17-12-18-20(13-17)9-10-21/h4-6,11-14,21H,2-3,7-10H2,1H3/t14-/m0/s1
InChIKeyLBXXGRHIGCQZKC-AWEZNQCLSA-N
MW285.39 g/mol
LogP2.70
Rot. Bonds5

About 2-[4-[3-[(1S)-1-pyrrolidin-1-ylethyl]phenyl]pyrazol-1-yl]ethanol

2-[4-[3-[(1S)-1-pyrrolidin-1-ylethyl]phenyl]pyrazol-1-yl]ethanol (PubChem CID 126449869) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-[4-[3-[(1S)-1-pyrrolidin-1-ylethyl]phenyl]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[3-[(1S)-1-pyrrolidin-1-ylethyl]phenyl]pyrazol-1-yl]ethanol
PubChem CID126449869
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name2-[4-[3-[(1S)-1-pyrrolidin-1-ylethyl]phenyl]pyrazol-1-yl]ethanol
SMILESC[C@@H](c1cccc(-c2cnn(CCO)c2)c1)N1CCCC1
InChIInChI=1S/C17H23N3O/c1-14(19-7-2-3-8-19)15-5-4-6-16(11-15)17-12-18-20(13-17)9-10-21/h4-6,11-14,21H,2-3,7-10H2,1H3/t14-/m0/s1
InChIKeyLBXXGRHIGCQZKC-AWEZNQCLSA-N
XLogP2.70
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

((2S)-1-{[3-(3-chlorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}-2-pyrrolidinyl)methanol
CID 16189909
N-{[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}-N-(2-methoxyethyl)propan-2-amine
CID 16190067
2-[4-[(1-methyl-1H-pyrazol-4-yl)methyl]-1-(2-phenylethyl)piperazin-2-yl]ethanol
CID 16191358
US10617680, Example 20
CID 135355547
N-{[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}-N-methyltetrahydrofuran-3-amine
CID 16189951
1-{[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}-3-piperidinol
CID 45196985
N-[(1-methyl-1H-pyrazol-4-yl)methyl]-N-(3-vinylbenzyl)cyclopropanamine
CID 56704242
1-Pyrazol-1-yl-3-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)propan-2-ol
CID 71977068
(2R)-2-(hydroxymethyl)-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolidine-1-carboxamide
CID 84595210
(2S,3R)-1-[(4-fluorophenyl)methyl]-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-ol
CID 97384238
(2S,3R)-2-benzyl-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-ol
CID 97470069
(2S,3S)-2-benzyl-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-ol
CID 97470406

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-[(1S)-1-pyrrolidin-1-ylethyl]phenyl]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-[3-[(1S)-1-pyrrolidin-1-ylethyl]phenyl]pyrazol-1-yl]ethanol (CID 126449869) is 2-[4-[3-[(1S)-1-pyrrolidin-1-ylethyl]phenyl]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[3-[(1S)-1-pyrrolidin-1-ylethyl]phenyl]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[3-[(1S)-1-pyrrolidin-1-ylethyl]phenyl]pyrazol-1-yl]ethanol is C[C@@H](c1cccc(-c2cnn(CCO)c2)c1)N1CCCC1.
What is the InChIKey of 2-[4-[3-[(1S)-1-pyrrolidin-1-ylethyl]phenyl]pyrazol-1-yl]ethanol?
The InChIKey is LBXXGRHIGCQZKC-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H23N3O/c1-14(19-7-2-3-8-19)15-5-4-6-16(11-15)17-12-18-20(13-17)9-10-21/h4-6,11-14,21H,2-3,7-10H2,1H3/t14-/m0/s1.
What are the key properties of 2-[4-[3-[(1S)-1-pyrrolidin-1-ylethyl]phenyl]pyrazol-1-yl]ethanol?
2-[4-[3-[(1S)-1-pyrrolidin-1-ylethyl]phenyl]pyrazol-1-yl]ethanol has a molecular weight of 285.39 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-[(1S)-1-pyrrolidin-1-ylethyl]phenyl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 126449869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).