[(2R)-1-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methanol

C16H20ClN3O — CID 110909353

IUPAC[(2R)-1-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methanol
SMILESCc1nn(-c2ccccc2)c(Cl)c1CN1CCC[C@@H]1CO
InChIInChI=1S/C16H20ClN3O/c1-12-15(10-19-9-5-8-14(19)11-21)16(17)20(18-12)13-6-3-2-4-7-13/h2-4,6-7,14,21H,5,8-11H2,1H3/t14-/m1/s1
InChIKeyBUTLEGLABLELGX-CQSZACIVSA-N
MW305.81 g/mol
LogP2.79
Rot. Bonds4

About [(2R)-1-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methanol

[(2R)-1-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methanol (PubChem CID 110909353) has the molecular formula C16H20ClN3O and a molecular weight of 305.81 g/mol. Its IUPAC name is [(2R)-1-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2R)-1-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methanol
PubChem CID110909353
Molecular FormulaC16H20ClN3O
Molecular Weight305.81 g/mol
Exact Mass305.13
IUPAC Name[(2R)-1-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methanol
SMILESCc1nn(-c2ccccc2)c(Cl)c1CN1CCC[C@@H]1CO
InChIInChI=1S/C16H20ClN3O/c1-12-15(10-19-9-5-8-14(19)11-21)16(17)20(18-12)13-6-3-2-4-7-13/h2-4,6-7,14,21H,5,8-11H2,1H3/t14-/m1/s1
InChIKeyBUTLEGLABLELGX-CQSZACIVSA-N
XLogP2.79
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)propan-1-ol
CID 170887531
1-benzyl-2-(bromomethyl)pyrrolidine;(1-benzylpyrrolidin-2-yl)methanol;5-[(1-benzylpyrrolidin-2-yl)methoxy]-3-methyl-1-phenylpyrazole
CID 159925284
1-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-N,N-diethylpiperidine-4-carboxamide
CID 86870595
3-chloro-2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenol
CID 115882280
1-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-4-methyl-4-prop-1-en-2-ylpiperidine
CID 142170476
2-[1-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]piperidin-4-yl]-1,3-benzoxazole
CID 55410754
[(2R)-1-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methanol
CID 110921363
N-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-N-(4-chlorophenyl)acetamide
CID 1124684
3-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)propanoic acid
CID 23005590
(3R)-1-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]piperidin-1-ium-3-carboxamide
CID 8545889
(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl 1-butanoylpyrrolidine-2-carboxylate
CID 60528977
(NE)-N-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylidene]hydroxylamine
CID 6483733

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [(2R)-1-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methanol (CID 110909353) is [(2R)-1-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2R)-1-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2R)-1-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methanol is Cc1nn(-c2ccccc2)c(Cl)c1CN1CCC[C@@H]1CO.
What is the InChIKey of [(2R)-1-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methanol?
The InChIKey is BUTLEGLABLELGX-CQSZACIVSA-N. The full InChI is InChI=1S/C16H20ClN3O/c1-12-15(10-19-9-5-8-14(19)11-21)16(17)20(18-12)13-6-3-2-4-7-13/h2-4,6-7,14,21H,5,8-11H2,1H3/t14-/m1/s1.
What are the key properties of [(2R)-1-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methanol?
[(2R)-1-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methanol has a molecular weight of 305.81 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 110909353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).