(2R)-1-[(2S)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-3-pyrazol-1-ylpropan-2-ol

C15H22ClN5O — CID 100843085

IUPAC(2R)-1-[(2S)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-3-pyrazol-1-ylpropan-2-ol
SMILESCc1nn(C)c(Cl)c1[C@@H]1CCCN1C[C@@H](O)Cn1cccn1
InChIInChI=1S/C15H22ClN5O/c1-11-14(15(16)19(2)18-11)13-5-3-7-20(13)9-12(22)10-21-8-4-6-17-21/h4,6,8,12-13,22H,3,5,7,9-10H2,1-2H3/t12-,13+/m1/s1
InChIKeyYJFLVBKPJCYARX-OLZOCXBDSA-N
MW323.83 g/mol
LogP1.78
Rot. Bonds5

About (2R)-1-[(2S)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-3-pyrazol-1-ylpropan-2-ol

(2R)-1-[(2S)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-3-pyrazol-1-ylpropan-2-ol (PubChem CID 100843085) has the molecular formula C15H22ClN5O and a molecular weight of 323.83 g/mol. Its IUPAC name is (2R)-1-[(2S)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-3-pyrazol-1-ylpropan-2-ol.

Molecular Properties

Compound Name(2R)-1-[(2S)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-3-pyrazol-1-ylpropan-2-ol
PubChem CID100843085
Molecular FormulaC15H22ClN5O
Molecular Weight323.83 g/mol
Exact Mass323.15
IUPAC Name(2R)-1-[(2S)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-3-pyrazol-1-ylpropan-2-ol
SMILESCc1nn(C)c(Cl)c1[C@@H]1CCCN1C[C@@H](O)Cn1cccn1
InChIInChI=1S/C15H22ClN5O/c1-11-14(15(16)19(2)18-11)13-5-3-7-20(13)9-12(22)10-21-8-4-6-17-21/h4,6,8,12-13,22H,3,5,7,9-10H2,1-2H3/t12-,13+/m1/s1
InChIKeyYJFLVBKPJCYARX-OLZOCXBDSA-N
XLogP1.78
TPSA59.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.83
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-1-[(2S)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-3-pyrazol-1-ylpropan-2-ol
CID 95766764
1-pyrazol-1-yl-3-(2-thiophen-3-ylpyrrolidin-1-yl)propan-2-ol
CID 47053600
2-methyl-3-pyrazol-1-yl-1-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]propan-1-one
CID 71932937
(2S)-1-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-3-pyrazol-1-ylpropan-2-ol
CID 95611667
1-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-3-pyrazol-1-ylpropan-2-ol
CID 56781089
1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-3-pyrazol-1-ylpropan-2-ol
CID 51086639
(2S)-1-(4-methylphenoxy)-3-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]propan-2-ol
CID 95610213
(2R)-1-(4-fluorophenoxy)-3-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]propan-2-ol
CID 100843621
1,3,5-trimethyl-4-[(2R)-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-2-yl]pyrazole
CID 95611766
(2S)-1-[(2S)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-3-phenoxypropan-2-ol
CID 95750946
(1S)-1-(2-chlorophenyl)-2-[(2S)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]ethanol
CID 100842127
(2S)-1-pyrazol-1-yl-3-[(2R)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]propan-2-ol
CID 95337140

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2S)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-3-pyrazol-1-ylpropan-2-ol?
The IUPAC name of (2R)-1-[(2S)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-3-pyrazol-1-ylpropan-2-ol (CID 100843085) is (2R)-1-[(2S)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-3-pyrazol-1-ylpropan-2-ol.
What is the SMILES notation for (2R)-1-[(2S)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-3-pyrazol-1-ylpropan-2-ol?
The canonical SMILES for (2R)-1-[(2S)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-3-pyrazol-1-ylpropan-2-ol is Cc1nn(C)c(Cl)c1[C@@H]1CCCN1C[C@@H](O)Cn1cccn1.
What is the InChIKey of (2R)-1-[(2S)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-3-pyrazol-1-ylpropan-2-ol?
The InChIKey is YJFLVBKPJCYARX-OLZOCXBDSA-N. The full InChI is InChI=1S/C15H22ClN5O/c1-11-14(15(16)19(2)18-11)13-5-3-7-20(13)9-12(22)10-21-8-4-6-17-21/h4,6,8,12-13,22H,3,5,7,9-10H2,1-2H3/t12-,13+/m1/s1.
What are the key properties of (2R)-1-[(2S)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-3-pyrazol-1-ylpropan-2-ol?
(2R)-1-[(2S)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-3-pyrazol-1-ylpropan-2-ol has a molecular weight of 323.83 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(2S)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-3-pyrazol-1-ylpropan-2-ol is sourced from PubChem (CID 100843085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).