(3S,4S)-4-(3,4,5-trimethylpyrazol-1-yl)pyrrolidin-3-ol

C10H17N3O — CID 170618087

IUPAC(3S,4S)-4-(3,4,5-trimethylpyrazol-1-yl)pyrrolidin-3-ol
SMILESCc1nn([C@H]2CNC[C@@H]2O)c(C)c1C
InChIInChI=1S/C10H17N3O/c1-6-7(2)12-13(8(6)3)9-4-11-5-10(9)14/h9-11,14H,4-5H2,1-3H3/t9-,10-/m0/s1
InChIKeyYIBLPBMYIJMHNO-UWVGGRQHSA-N
MW195.27 g/mol
LogP0.31
Rot. Bonds1

About (3S,4S)-4-(3,4,5-trimethylpyrazol-1-yl)pyrrolidin-3-ol

(3S,4S)-4-(3,4,5-trimethylpyrazol-1-yl)pyrrolidin-3-ol (PubChem CID 170618087) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is (3S,4S)-4-(3,4,5-trimethylpyrazol-1-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S,4S)-4-(3,4,5-trimethylpyrazol-1-yl)pyrrolidin-3-ol
PubChem CID170618087
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name(3S,4S)-4-(3,4,5-trimethylpyrazol-1-yl)pyrrolidin-3-ol
SMILESCc1nn([C@H]2CNC[C@@H]2O)c(C)c1C
InChIInChI=1S/C10H17N3O/c1-6-7(2)12-13(8(6)3)9-4-11-5-10(9)14/h9-11,14H,4-5H2,1-3H3/t9-,10-/m0/s1
InChIKeyYIBLPBMYIJMHNO-UWVGGRQHSA-N
XLogP0.31
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-(3,4,5-trimethylpyrazol-1-yl)pyrrolidin-3-ol?
The IUPAC name of (3S,4S)-4-(3,4,5-trimethylpyrazol-1-yl)pyrrolidin-3-ol (CID 170618087) is (3S,4S)-4-(3,4,5-trimethylpyrazol-1-yl)pyrrolidin-3-ol.
What is the SMILES notation for (3S,4S)-4-(3,4,5-trimethylpyrazol-1-yl)pyrrolidin-3-ol?
The canonical SMILES for (3S,4S)-4-(3,4,5-trimethylpyrazol-1-yl)pyrrolidin-3-ol is Cc1nn([C@H]2CNC[C@@H]2O)c(C)c1C.
What is the InChIKey of (3S,4S)-4-(3,4,5-trimethylpyrazol-1-yl)pyrrolidin-3-ol?
The InChIKey is YIBLPBMYIJMHNO-UWVGGRQHSA-N. The full InChI is InChI=1S/C10H17N3O/c1-6-7(2)12-13(8(6)3)9-4-11-5-10(9)14/h9-11,14H,4-5H2,1-3H3/t9-,10-/m0/s1.
What are the key properties of (3S,4S)-4-(3,4,5-trimethylpyrazol-1-yl)pyrrolidin-3-ol?
(3S,4S)-4-(3,4,5-trimethylpyrazol-1-yl)pyrrolidin-3-ol has a molecular weight of 195.27 g/mol, XLogP of 0.31, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-(3,4,5-trimethylpyrazol-1-yl)pyrrolidin-3-ol is sourced from PubChem (CID 170618087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).