3-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]-1-phenylpyrazole;hydrochloride

C15H20ClN3 — CID 22853235

IUPAC3-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]-1-phenylpyrazole;hydrochloride
SMILESCc1nn(-c2ccccc2)cc1[C@@H]1CCCN1C.Cl
InChIInChI=1S/C15H19N3.ClH/c1-12-14(15-9-6-10-17(15)2)11-18(16-12)13-7-4-3-5-8-13;/h3-5,7-8,11,15H,6,9-10H2,1-2H3;1H/t15-;/m0./s1
InChIKeyMXEWSXOXBOLIKQ-RSAXXLAASA-N
MW277.80 g/mol
LogP3.37
Rot. Bonds2

About 3-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]-1-phenylpyrazole;hydrochloride

3-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]-1-phenylpyrazole;hydrochloride (PubChem CID 22853235) has the molecular formula C15H20ClN3 and a molecular weight of 277.80 g/mol. Its IUPAC name is 3-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]-1-phenylpyrazole;hydrochloride.

Molecular Properties

Compound Name3-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]-1-phenylpyrazole;hydrochloride
PubChem CID22853235
Molecular FormulaC15H20ClN3
Molecular Weight277.80 g/mol
Exact Mass277.13
IUPAC Name3-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]-1-phenylpyrazole;hydrochloride
SMILESCc1nn(-c2ccccc2)cc1[C@@H]1CCCN1C.Cl
InChIInChI=1S/C15H19N3.ClH/c1-12-14(15-9-6-10-17(15)2)11-18(16-12)13-7-4-3-5-8-13;/h3-5,7-8,11,15H,6,9-10H2,1-2H3;1H/t15-;/m0./s1
InChIKeyMXEWSXOXBOLIKQ-RSAXXLAASA-N
XLogP3.37
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.80
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]-1-phenylpyrazole;hydrochloride?
The IUPAC name of 3-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]-1-phenylpyrazole;hydrochloride (CID 22853235) is 3-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]-1-phenylpyrazole;hydrochloride.
What is the SMILES notation for 3-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]-1-phenylpyrazole;hydrochloride?
The canonical SMILES for 3-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]-1-phenylpyrazole;hydrochloride is Cc1nn(-c2ccccc2)cc1[C@@H]1CCCN1C.Cl.
What is the InChIKey of 3-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]-1-phenylpyrazole;hydrochloride?
The InChIKey is MXEWSXOXBOLIKQ-RSAXXLAASA-N. The full InChI is InChI=1S/C15H19N3.ClH/c1-12-14(15-9-6-10-17(15)2)11-18(16-12)13-7-4-3-5-8-13;/h3-5,7-8,11,15H,6,9-10H2,1-2H3;1H/t15-;/m0./s1.
What are the key properties of 3-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]-1-phenylpyrazole;hydrochloride?
3-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]-1-phenylpyrazole;hydrochloride has a molecular weight of 277.80 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]-1-phenylpyrazole;hydrochloride is sourced from PubChem (CID 22853235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).