1,3,5-trimethyl-4-[(2R)-pyrrolidin-2-yl]pyrazole

C10H17N3 — CID 95566954

IUPAC1,3,5-trimethyl-4-[(2R)-pyrrolidin-2-yl]pyrazole
SMILESCc1nn(C)c(C)c1[C@H]1CCCN1
InChIInChI=1S/C10H17N3/c1-7-10(8(2)13(3)12-7)9-5-4-6-11-9/h9,11H,4-6H2,1-3H3/t9-/m1/s1
InChIKeyJIQKCBHWDUCIRX-SECBINFHSA-N
MW179.27 g/mol
LogP1.46
Rot. Bonds1

About 1,3,5-trimethyl-4-[(2R)-pyrrolidin-2-yl]pyrazole

1,3,5-trimethyl-4-[(2R)-pyrrolidin-2-yl]pyrazole (PubChem CID 95566954) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 1,3,5-trimethyl-4-[(2R)-pyrrolidin-2-yl]pyrazole.

Molecular Properties

Compound Name1,3,5-trimethyl-4-[(2R)-pyrrolidin-2-yl]pyrazole
PubChem CID95566954
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name1,3,5-trimethyl-4-[(2R)-pyrrolidin-2-yl]pyrazole
SMILESCc1nn(C)c(C)c1[C@H]1CCCN1
InChIInChI=1S/C10H17N3/c1-7-10(8(2)13(3)12-7)9-5-4-6-11-9/h9,11H,4-6H2,1-3H3/t9-/m1/s1
InChIKeyJIQKCBHWDUCIRX-SECBINFHSA-N
XLogP1.46
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-4-[(2R)-pyrrolidin-2-yl]pyrazole?
The IUPAC name of 1,3,5-trimethyl-4-[(2R)-pyrrolidin-2-yl]pyrazole (CID 95566954) is 1,3,5-trimethyl-4-[(2R)-pyrrolidin-2-yl]pyrazole.
What is the SMILES notation for 1,3,5-trimethyl-4-[(2R)-pyrrolidin-2-yl]pyrazole?
The canonical SMILES for 1,3,5-trimethyl-4-[(2R)-pyrrolidin-2-yl]pyrazole is Cc1nn(C)c(C)c1[C@H]1CCCN1.
What is the InChIKey of 1,3,5-trimethyl-4-[(2R)-pyrrolidin-2-yl]pyrazole?
The InChIKey is JIQKCBHWDUCIRX-SECBINFHSA-N. The full InChI is InChI=1S/C10H17N3/c1-7-10(8(2)13(3)12-7)9-5-4-6-11-9/h9,11H,4-6H2,1-3H3/t9-/m1/s1.
What are the key properties of 1,3,5-trimethyl-4-[(2R)-pyrrolidin-2-yl]pyrazole?
1,3,5-trimethyl-4-[(2R)-pyrrolidin-2-yl]pyrazole has a molecular weight of 179.27 g/mol, XLogP of 1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-4-[(2R)-pyrrolidin-2-yl]pyrazole is sourced from PubChem (CID 95566954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).