1-[[(2R)-1-benzylpyrrolidin-2-yl]methyl]-3,5-dimethylpyrazole

C17H23N3 — CID 141327365

IUPAC1-[[(2R)-1-benzylpyrrolidin-2-yl]methyl]-3,5-dimethylpyrazole
SMILESCc1cc(C)n(C[C@H]2CCCN2Cc2ccccc2)n1
InChIInChI=1S/C17H23N3/c1-14-11-15(2)20(18-14)13-17-9-6-10-19(17)12-16-7-4-3-5-8-16/h3-5,7-8,11,17H,6,9-10,12-13H2,1-2H3/t17-/m1/s1
InChIKeySYYBSASVEDHNMW-QGZVFWFLSA-N
MW269.39 g/mol
LogP3.16
Rot. Bonds4

About 1-[[(2R)-1-benzylpyrrolidin-2-yl]methyl]-3,5-dimethylpyrazole

1-[[(2R)-1-benzylpyrrolidin-2-yl]methyl]-3,5-dimethylpyrazole (PubChem CID 141327365) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 1-[[(2R)-1-benzylpyrrolidin-2-yl]methyl]-3,5-dimethylpyrazole.

Molecular Properties

Compound Name1-[[(2R)-1-benzylpyrrolidin-2-yl]methyl]-3,5-dimethylpyrazole
PubChem CID141327365
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name1-[[(2R)-1-benzylpyrrolidin-2-yl]methyl]-3,5-dimethylpyrazole
SMILESCc1cc(C)n(C[C@H]2CCCN2Cc2ccccc2)n1
InChIInChI=1S/C17H23N3/c1-14-11-15(2)20(18-14)13-17-9-6-10-19(17)12-16-7-4-3-5-8-16/h3-5,7-8,11,17H,6,9-10,12-13H2,1-2H3/t17-/m1/s1
InChIKeySYYBSASVEDHNMW-QGZVFWFLSA-N
XLogP3.16
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-4-methylquinazoline
CID 56780557
3,5-dimethyl-1-[[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]pyrazole
CID 56780569
5-[[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1-phenyltetrazole
CID 95349117
2-[[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-5-methylpyrazine
CID 95609740
3,5-dimethyl-1-[[(2R)-1-propylpyrrolidin-2-yl]methyl]pyrazole
CID 95341471
3,5-dimethyl-1-[[(2S)-1-prop-2-enylpyrrolidin-2-yl]methyl]pyrazole
CID 95341473
2-[[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-5-methylpyrazine
CID 95750517
2-[[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-4,5-dimethyl-1,3-oxazole
CID 95350038
2-[[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 95341499
1-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-3,5-dimethylpyrazole
CID 56780552
1-[[(2S)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-3,5-dimethylpyrazole
CID 95609700
1-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-2-methylpropan-2-ol
CID 56780852

Frequently Asked Questions

What is the IUPAC name of 1-[[(2R)-1-benzylpyrrolidin-2-yl]methyl]-3,5-dimethylpyrazole?
The IUPAC name of 1-[[(2R)-1-benzylpyrrolidin-2-yl]methyl]-3,5-dimethylpyrazole (CID 141327365) is 1-[[(2R)-1-benzylpyrrolidin-2-yl]methyl]-3,5-dimethylpyrazole.
What is the SMILES notation for 1-[[(2R)-1-benzylpyrrolidin-2-yl]methyl]-3,5-dimethylpyrazole?
The canonical SMILES for 1-[[(2R)-1-benzylpyrrolidin-2-yl]methyl]-3,5-dimethylpyrazole is Cc1cc(C)n(C[C@H]2CCCN2Cc2ccccc2)n1.
What is the InChIKey of 1-[[(2R)-1-benzylpyrrolidin-2-yl]methyl]-3,5-dimethylpyrazole?
The InChIKey is SYYBSASVEDHNMW-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H23N3/c1-14-11-15(2)20(18-14)13-17-9-6-10-19(17)12-16-7-4-3-5-8-16/h3-5,7-8,11,17H,6,9-10,12-13H2,1-2H3/t17-/m1/s1.
What are the key properties of 1-[[(2R)-1-benzylpyrrolidin-2-yl]methyl]-3,5-dimethylpyrazole?
1-[[(2R)-1-benzylpyrrolidin-2-yl]methyl]-3,5-dimethylpyrazole has a molecular weight of 269.39 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2R)-1-benzylpyrrolidin-2-yl]methyl]-3,5-dimethylpyrazole is sourced from PubChem (CID 141327365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).