5-[[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]methyl]-1-methylpyrazole

C17H23N3 — CID 124573179

IUPAC5-[[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]methyl]-1-methylpyrazole
SMILESCn1nccc1CN1C[C@H](c2ccccc2)C(C)(C)C1
InChIInChI=1S/C17H23N3/c1-17(2)13-20(11-15-9-10-18-19(15)3)12-16(17)14-7-5-4-6-8-14/h4-10,16H,11-13H2,1-3H3/t16-/m1/s1
InChIKeyMPLYSRZPFSKRFV-MRXNPFEDSA-N
MW269.39 g/mol
LogP3.05
Rot. Bonds3

About 5-[[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]methyl]-1-methylpyrazole

5-[[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]methyl]-1-methylpyrazole (PubChem CID 124573179) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 5-[[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]methyl]-1-methylpyrazole.

Molecular Properties

Compound Name5-[[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]methyl]-1-methylpyrazole
PubChem CID124573179
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name5-[[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]methyl]-1-methylpyrazole
SMILESCn1nccc1CN1C[C@H](c2ccccc2)C(C)(C)C1
InChIInChI=1S/C17H23N3/c1-17(2)13-20(11-15-9-10-18-19(15)3)12-16(17)14-7-5-4-6-8-14/h4-10,16H,11-13H2,1-3H3/t16-/m1/s1
InChIKeyMPLYSRZPFSKRFV-MRXNPFEDSA-N
XLogP3.05
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]methyl]-1-methylpyrazole?
The IUPAC name of 5-[[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]methyl]-1-methylpyrazole (CID 124573179) is 5-[[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]methyl]-1-methylpyrazole.
What is the SMILES notation for 5-[[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]methyl]-1-methylpyrazole?
The canonical SMILES for 5-[[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]methyl]-1-methylpyrazole is Cn1nccc1CN1C[C@H](c2ccccc2)C(C)(C)C1.
What is the InChIKey of 5-[[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]methyl]-1-methylpyrazole?
The InChIKey is MPLYSRZPFSKRFV-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H23N3/c1-17(2)13-20(11-15-9-10-18-19(15)3)12-16(17)14-7-5-4-6-8-14/h4-10,16H,11-13H2,1-3H3/t16-/m1/s1.
What are the key properties of 5-[[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]methyl]-1-methylpyrazole?
5-[[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]methyl]-1-methylpyrazole has a molecular weight of 269.39 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]methyl]-1-methylpyrazole is sourced from PubChem (CID 124573179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).