(1S)-2-[(2S)-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanol

C15H24N6O — CID 124735348

IUPAC(1S)-2-[(2S)-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanol
SMILESCCn1ncnc1CN1CCC[C@H]1C[C@H](O)c1cnn(C)c1
InChIInChI=1S/C15H24N6O/c1-3-21-15(16-11-18-21)10-20-6-4-5-13(20)7-14(22)12-8-17-19(2)9-12/h8-9,11,13-14,22H,3-7,10H2,1-2H3/t13-,14-/m0/s1
InChIKeyNNMPELPLOTWBEH-KBPBESRZSA-N
MW304.40 g/mol
LogP1.12
Rot. Bonds6

About (1S)-2-[(2S)-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanol

(1S)-2-[(2S)-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanol (PubChem CID 124735348) has the molecular formula C15H24N6O and a molecular weight of 304.40 g/mol. Its IUPAC name is (1S)-2-[(2S)-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanol.

Molecular Properties

Compound Name(1S)-2-[(2S)-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanol
PubChem CID124735348
Molecular FormulaC15H24N6O
Molecular Weight304.40 g/mol
Exact Mass304.20
IUPAC Name(1S)-2-[(2S)-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanol
SMILESCCn1ncnc1CN1CCC[C@H]1C[C@H](O)c1cnn(C)c1
InChIInChI=1S/C15H24N6O/c1-3-21-15(16-11-18-21)10-20-6-4-5-13(20)7-14(22)12-8-17-19(2)9-12/h8-9,11,13-14,22H,3-7,10H2,1-2H3/t13-,14-/m0/s1
InChIKeyNNMPELPLOTWBEH-KBPBESRZSA-N
XLogP1.12
TPSA72.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(1S)-1-(1-methylpyrazol-4-yl)-2-[(2R)-1-[(5-methyl-3-pyridinyl)methyl]pyrrolidin-2-yl]ethanol
CID 124734701
1-(4-fluorophenyl)-2-[1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-2-yl]ethanol
CID 110009563
1-(1-methylpyrazol-4-yl)-2-[1-(piperidin-3-ylmethyl)pyrrolidin-2-yl]ethanol
CID 120855183
2-cyclohexyl-1-(1-methylpyrazol-4-yl)ethanol
CID 61088408
(1R)-2-[(2S)-1-[3-(1,3-benzodioxol-5-yloxy)propyl]pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanol
CID 99780536
(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
[(2S)-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]methanol
CID 65417436
2-(2-ethyl-1,2,4-triazol-3-yl)-1-(1-propylpyrazol-4-yl)ethanol
CID 103572689
4-[2-hydroxy-3-[2-[2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]pyrrolidin-1-yl]propoxy]-3,5-dimethylbenzonitrile
CID 166310151
(1S)-2-[(2R)-1-(furan-2-ylsulfonyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanol
CID 124728531
tert-butyl (2R)-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrrolidine-2-carboxylate
CID 115537697
methyl (2R)-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidine-2-carboxylate
CID 113331160

Frequently Asked Questions

What is the IUPAC name of (1S)-2-[(2S)-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanol?
The IUPAC name of (1S)-2-[(2S)-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanol (CID 124735348) is (1S)-2-[(2S)-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanol.
What is the SMILES notation for (1S)-2-[(2S)-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanol?
The canonical SMILES for (1S)-2-[(2S)-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanol is CCn1ncnc1CN1CCC[C@H]1C[C@H](O)c1cnn(C)c1.
What is the InChIKey of (1S)-2-[(2S)-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanol?
The InChIKey is NNMPELPLOTWBEH-KBPBESRZSA-N. The full InChI is InChI=1S/C15H24N6O/c1-3-21-15(16-11-18-21)10-20-6-4-5-13(20)7-14(22)12-8-17-19(2)9-12/h8-9,11,13-14,22H,3-7,10H2,1-2H3/t13-,14-/m0/s1.
What are the key properties of (1S)-2-[(2S)-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanol?
(1S)-2-[(2S)-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanol has a molecular weight of 304.40 g/mol, XLogP of 1.12, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-[(2S)-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanol is sourced from PubChem (CID 124735348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).