(3R)-3-methyl-1-(1H-pyrazol-5-yl)pyrrolidin-3-ol

C8H13N3O — CID 126655343

IUPAC(3R)-3-methyl-1-(1H-pyrazol-5-yl)pyrrolidin-3-ol
SMILESC[C@@]1(O)CCN(c2ccn[nH]2)C1
InChIInChI=1S/C8H13N3O/c1-8(12)3-5-11(6-8)7-2-4-9-10-7/h2,4,12H,3,5-6H2,1H3,(H,9,10)/t8-/m1/s1
InChIKeyNLUYUROWWJGGER-MRVPVSSYSA-N
MW167.21 g/mol
LogP0.37
Rot. Bonds1

About (3R)-3-methyl-1-(1H-pyrazol-5-yl)pyrrolidin-3-ol

(3R)-3-methyl-1-(1H-pyrazol-5-yl)pyrrolidin-3-ol (PubChem CID 126655343) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is (3R)-3-methyl-1-(1H-pyrazol-5-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-3-methyl-1-(1H-pyrazol-5-yl)pyrrolidin-3-ol
PubChem CID126655343
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name(3R)-3-methyl-1-(1H-pyrazol-5-yl)pyrrolidin-3-ol
SMILESC[C@@]1(O)CCN(c2ccn[nH]2)C1
InChIInChI=1S/C8H13N3O/c1-8(12)3-5-11(6-8)7-2-4-9-10-7/h2,4,12H,3,5-6H2,1H3,(H,9,10)/t8-/m1/s1
InChIKeyNLUYUROWWJGGER-MRVPVSSYSA-N
XLogP0.37
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-1-(1H-pyrazol-5-yl)pyrrolidin-3-ol?
The IUPAC name of (3R)-3-methyl-1-(1H-pyrazol-5-yl)pyrrolidin-3-ol (CID 126655343) is (3R)-3-methyl-1-(1H-pyrazol-5-yl)pyrrolidin-3-ol.
What is the SMILES notation for (3R)-3-methyl-1-(1H-pyrazol-5-yl)pyrrolidin-3-ol?
The canonical SMILES for (3R)-3-methyl-1-(1H-pyrazol-5-yl)pyrrolidin-3-ol is C[C@@]1(O)CCN(c2ccn[nH]2)C1.
What is the InChIKey of (3R)-3-methyl-1-(1H-pyrazol-5-yl)pyrrolidin-3-ol?
The InChIKey is NLUYUROWWJGGER-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-8(12)3-5-11(6-8)7-2-4-9-10-7/h2,4,12H,3,5-6H2,1H3,(H,9,10)/t8-/m1/s1.
What are the key properties of (3R)-3-methyl-1-(1H-pyrazol-5-yl)pyrrolidin-3-ol?
(3R)-3-methyl-1-(1H-pyrazol-5-yl)pyrrolidin-3-ol has a molecular weight of 167.21 g/mol, XLogP of 0.37, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-1-(1H-pyrazol-5-yl)pyrrolidin-3-ol is sourced from PubChem (CID 126655343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).