(1S)-1-(1-methylpyrazol-4-yl)-2-[(2R)-1-[(5-methyl-3-pyridinyl)methyl]pyrrolidin-2-yl]ethanol

C17H24N4O — CID 124734701

IUPAC(1S)-1-(1-methylpyrazol-4-yl)-2-[(2R)-1-[(5-methyl-3-pyridinyl)methyl]pyrrolidin-2-yl]ethanol
SMILESCc1cncc(CN2CCC[C@@H]2C[C@H](O)c2cnn(C)c2)c1
InChIInChI=1S/C17H24N4O/c1-13-6-14(9-18-8-13)11-21-5-3-4-16(21)7-17(22)15-10-19-20(2)12-15/h6,8-10,12,16-17,22H,3-5,7,11H2,1-2H3/t16-,17+/m1/s1
InChIKeyMSUXTCSVUAYWQW-SJORKVTESA-N
MW300.41 g/mol
LogP2.21
Rot. Bonds5

About (1S)-1-(1-methylpyrazol-4-yl)-2-[(2R)-1-[(5-methyl-3-pyridinyl)methyl]pyrrolidin-2-yl]ethanol

(1S)-1-(1-methylpyrazol-4-yl)-2-[(2R)-1-[(5-methyl-3-pyridinyl)methyl]pyrrolidin-2-yl]ethanol (PubChem CID 124734701) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is (1S)-1-(1-methylpyrazol-4-yl)-2-[(2R)-1-[(5-methyl-3-pyridinyl)methyl]pyrrolidin-2-yl]ethanol.

Molecular Properties

Compound Name(1S)-1-(1-methylpyrazol-4-yl)-2-[(2R)-1-[(5-methyl-3-pyridinyl)methyl]pyrrolidin-2-yl]ethanol
PubChem CID124734701
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name(1S)-1-(1-methylpyrazol-4-yl)-2-[(2R)-1-[(5-methyl-3-pyridinyl)methyl]pyrrolidin-2-yl]ethanol
SMILESCc1cncc(CN2CCC[C@@H]2C[C@H](O)c2cnn(C)c2)c1
InChIInChI=1S/C17H24N4O/c1-13-6-14(9-18-8-13)11-21-5-3-4-16(21)7-17(22)15-10-19-20(2)12-15/h6,8-10,12,16-17,22H,3-5,7,11H2,1-2H3/t16-,17+/m1/s1
InChIKeyMSUXTCSVUAYWQW-SJORKVTESA-N
XLogP2.21
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1S)-2-[(2S)-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanol
CID 124735348
3-[[2-(3-chloropropyl)pyrrolidin-1-yl]methyl]-5-methylpyridine
CID 102878849
1-(1-methylpyrazol-4-yl)-2-[1-(piperidin-3-ylmethyl)pyrrolidin-2-yl]ethanol
CID 120855183
N-[[1-[(5-methyl-3-pyridinyl)methyl]pyrrolidin-2-yl]methyl]propan-1-amine
CID 102881483
2-cyclohexyl-1-(1-methylpyrazol-4-yl)ethanol
CID 61088408
4-[2-hydroxy-3-[2-[2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-1-yl]propoxy]-3,5-dimethylbenzonitrile
CID 166310151
2-methyl-N-[[1-[(5-methyl-3-pyridinyl)methyl]piperidin-2-yl]methyl]propan-2-amine
CID 102879282
(1R)-2-[(2S)-1-[3-(1,3-benzodioxol-5-yloxy)propyl]pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanol
CID 99780536
(1-methylpyrazol-4-yl)-(5-methyl-3-pyridinyl)methanol
CID 115373634
(1S)-1-(furan-2-yl)-2-[(2R)-1-[(1-methylpyrazol-4-yl)methyl]azepan-2-yl]ethanol
CID 97224996
(1R)-2-[(2S)-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanol
CID 124873990
[1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]methanol
CID 60685295

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(1-methylpyrazol-4-yl)-2-[(2R)-1-[(5-methyl-3-pyridinyl)methyl]pyrrolidin-2-yl]ethanol?
The IUPAC name of (1S)-1-(1-methylpyrazol-4-yl)-2-[(2R)-1-[(5-methyl-3-pyridinyl)methyl]pyrrolidin-2-yl]ethanol (CID 124734701) is (1S)-1-(1-methylpyrazol-4-yl)-2-[(2R)-1-[(5-methyl-3-pyridinyl)methyl]pyrrolidin-2-yl]ethanol.
What is the SMILES notation for (1S)-1-(1-methylpyrazol-4-yl)-2-[(2R)-1-[(5-methyl-3-pyridinyl)methyl]pyrrolidin-2-yl]ethanol?
The canonical SMILES for (1S)-1-(1-methylpyrazol-4-yl)-2-[(2R)-1-[(5-methyl-3-pyridinyl)methyl]pyrrolidin-2-yl]ethanol is Cc1cncc(CN2CCC[C@@H]2C[C@H](O)c2cnn(C)c2)c1.
What is the InChIKey of (1S)-1-(1-methylpyrazol-4-yl)-2-[(2R)-1-[(5-methyl-3-pyridinyl)methyl]pyrrolidin-2-yl]ethanol?
The InChIKey is MSUXTCSVUAYWQW-SJORKVTESA-N. The full InChI is InChI=1S/C17H24N4O/c1-13-6-14(9-18-8-13)11-21-5-3-4-16(21)7-17(22)15-10-19-20(2)12-15/h6,8-10,12,16-17,22H,3-5,7,11H2,1-2H3/t16-,17+/m1/s1.
What are the key properties of (1S)-1-(1-methylpyrazol-4-yl)-2-[(2R)-1-[(5-methyl-3-pyridinyl)methyl]pyrrolidin-2-yl]ethanol?
(1S)-1-(1-methylpyrazol-4-yl)-2-[(2R)-1-[(5-methyl-3-pyridinyl)methyl]pyrrolidin-2-yl]ethanol has a molecular weight of 300.41 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(1-methylpyrazol-4-yl)-2-[(2R)-1-[(5-methyl-3-pyridinyl)methyl]pyrrolidin-2-yl]ethanol is sourced from PubChem (CID 124734701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).