(3S,4R)-1-[(2,5-dimethylpyrazol-3-yl)methyl]pyrrolidine-3,4-diol

C10H17N3O2 — CID 79419332

IUPAC(3S,4R)-1-[(2,5-dimethylpyrazol-3-yl)methyl]pyrrolidine-3,4-diol
SMILESCc1cc(CN2C[C@@H](O)[C@@H](O)C2)n(C)n1
InChIInChI=1S/C10H17N3O2/c1-7-3-8(12(2)11-7)4-13-5-9(14)10(15)6-13/h3,9-10,14-15H,4-6H2,1-2H3/t9-,10+
InChIKeyVDRWNQZQSMPOEY-AOOOYVTPSA-N
MW211.26 g/mol
LogP-0.73
Rot. Bonds2

About (3S,4R)-1-[(2,5-dimethylpyrazol-3-yl)methyl]pyrrolidine-3,4-diol

(3S,4R)-1-[(2,5-dimethylpyrazol-3-yl)methyl]pyrrolidine-3,4-diol (PubChem CID 79419332) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is (3S,4R)-1-[(2,5-dimethylpyrazol-3-yl)methyl]pyrrolidine-3,4-diol.

Molecular Properties

Compound Name(3S,4R)-1-[(2,5-dimethylpyrazol-3-yl)methyl]pyrrolidine-3,4-diol
PubChem CID79419332
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name(3S,4R)-1-[(2,5-dimethylpyrazol-3-yl)methyl]pyrrolidine-3,4-diol
SMILESCc1cc(CN2C[C@@H](O)[C@@H](O)C2)n(C)n1
InChIInChI=1S/C10H17N3O2/c1-7-3-8(12(2)11-7)4-13-5-9(14)10(15)6-13/h3,9-10,14-15H,4-6H2,1-2H3/t9-,10+
InChIKeyVDRWNQZQSMPOEY-AOOOYVTPSA-N
XLogP-0.73
TPSA61.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2,5-dimethylpyrazol-3-yl)methyl]-5-methylpiperidin-3-amine
CID 79992666
5-[(3-bromopyrrolidin-1-yl)methyl]-1,3-dimethylpyrazole
CID 80676862
(3aR,5R,6R,7aS)-2-[(2,5-dimethylpyrazol-3-yl)methyl]-6-morpholin-4-yl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol
CID 172667339
3-bromo-1-[(2,5-dimethylpyrazol-3-yl)methyl]piperidine
CID 80679515
5-[[3-(2-bromoethyl)pyrrolidin-1-yl]methyl]-1,3-dimethylpyrazole
CID 114800374
1-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(hydroxymethyl)pyrrolidin-2-one
CID 168662911
N-(cyclopropylmethyl)-1-[(2,5-dimethylpyrazol-3-yl)methyl]piperidin-4-amine
CID 115307348
(3R,3aR,6aR)-5-[(2,5-dimethylpyrazol-3-yl)methyl]-3-(pyrrolidin-1-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole
CID 124807110
4-[(2,5-dimethylpyrazol-3-yl)methyl]morpholine-2-carboximidamide
CID 79675684
N-[1-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(hydroxymethyl)pyrrolidin-3-yl]benzamide
CID 171142638
3-[1-[(2,5-dimethylpyrazol-3-yl)methyl]piperidin-3-yl]butanoic acid
CID 81046459
5-(chloromethyl)-1,3-dimethylpyrazole
CID 4961270

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-1-[(2,5-dimethylpyrazol-3-yl)methyl]pyrrolidine-3,4-diol?
The IUPAC name of (3S,4R)-1-[(2,5-dimethylpyrazol-3-yl)methyl]pyrrolidine-3,4-diol (CID 79419332) is (3S,4R)-1-[(2,5-dimethylpyrazol-3-yl)methyl]pyrrolidine-3,4-diol.
What is the SMILES notation for (3S,4R)-1-[(2,5-dimethylpyrazol-3-yl)methyl]pyrrolidine-3,4-diol?
The canonical SMILES for (3S,4R)-1-[(2,5-dimethylpyrazol-3-yl)methyl]pyrrolidine-3,4-diol is Cc1cc(CN2C[C@@H](O)[C@@H](O)C2)n(C)n1.
What is the InChIKey of (3S,4R)-1-[(2,5-dimethylpyrazol-3-yl)methyl]pyrrolidine-3,4-diol?
The InChIKey is VDRWNQZQSMPOEY-AOOOYVTPSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-7-3-8(12(2)11-7)4-13-5-9(14)10(15)6-13/h3,9-10,14-15H,4-6H2,1-2H3/t9-,10+.
What are the key properties of (3S,4R)-1-[(2,5-dimethylpyrazol-3-yl)methyl]pyrrolidine-3,4-diol?
(3S,4R)-1-[(2,5-dimethylpyrazol-3-yl)methyl]pyrrolidine-3,4-diol has a molecular weight of 211.26 g/mol, XLogP of -0.73, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-1-[(2,5-dimethylpyrazol-3-yl)methyl]pyrrolidine-3,4-diol is sourced from PubChem (CID 79419332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).