1,5-dimethyl-4-[(3S)-1-methylpyrrolidin-3-yl]pyrazole

C10H17N3 — CID 153338941

IUPAC1,5-dimethyl-4-[(3S)-1-methylpyrrolidin-3-yl]pyrazole
SMILESCc1c([C@@H]2CCN(C)C2)cnn1C
InChIInChI=1S/C10H17N3/c1-8-10(6-11-13(8)3)9-4-5-12(2)7-9/h6,9H,4-5,7H2,1-3H3/t9-/m1/s1
InChIKeyREGAWKLACGDHCL-SECBINFHSA-N
MW179.27 g/mol
LogP1.15
Rot. Bonds1

About 1,5-dimethyl-4-[(3S)-1-methylpyrrolidin-3-yl]pyrazole

1,5-dimethyl-4-[(3S)-1-methylpyrrolidin-3-yl]pyrazole (PubChem CID 153338941) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 1,5-dimethyl-4-[(3S)-1-methylpyrrolidin-3-yl]pyrazole.

Molecular Properties

Compound Name1,5-dimethyl-4-[(3S)-1-methylpyrrolidin-3-yl]pyrazole
PubChem CID153338941
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name1,5-dimethyl-4-[(3S)-1-methylpyrrolidin-3-yl]pyrazole
SMILESCc1c([C@@H]2CCN(C)C2)cnn1C
InChIInChI=1S/C10H17N3/c1-8-10(6-11-13(8)3)9-4-5-12(2)7-9/h6,9H,4-5,7H2,1-3H3/t9-/m1/s1
InChIKeyREGAWKLACGDHCL-SECBINFHSA-N
XLogP1.15
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-4-[(3S)-1-methylpyrrolidin-3-yl]pyrazole?
The IUPAC name of 1,5-dimethyl-4-[(3S)-1-methylpyrrolidin-3-yl]pyrazole (CID 153338941) is 1,5-dimethyl-4-[(3S)-1-methylpyrrolidin-3-yl]pyrazole.
What is the SMILES notation for 1,5-dimethyl-4-[(3S)-1-methylpyrrolidin-3-yl]pyrazole?
The canonical SMILES for 1,5-dimethyl-4-[(3S)-1-methylpyrrolidin-3-yl]pyrazole is Cc1c([C@@H]2CCN(C)C2)cnn1C.
What is the InChIKey of 1,5-dimethyl-4-[(3S)-1-methylpyrrolidin-3-yl]pyrazole?
The InChIKey is REGAWKLACGDHCL-SECBINFHSA-N. The full InChI is InChI=1S/C10H17N3/c1-8-10(6-11-13(8)3)9-4-5-12(2)7-9/h6,9H,4-5,7H2,1-3H3/t9-/m1/s1.
What are the key properties of 1,5-dimethyl-4-[(3S)-1-methylpyrrolidin-3-yl]pyrazole?
1,5-dimethyl-4-[(3S)-1-methylpyrrolidin-3-yl]pyrazole has a molecular weight of 179.27 g/mol, XLogP of 1.15, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-4-[(3S)-1-methylpyrrolidin-3-yl]pyrazole is sourced from PubChem (CID 153338941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).