[(3R,4R)-1-[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methyl]-4-phenylpyrrolidin-3-yl]methanamine

C22H27N5 — CID 120846631

IUPAC[(3R,4R)-1-[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methyl]-4-phenylpyrrolidin-3-yl]methanamine
SMILESCc1nn(-c2ccccn2)c(C)c1CN1C[C@@H](CN)[C@H](c2ccccc2)C1
InChIInChI=1S/C22H27N5/c1-16-20(17(2)27(25-16)22-10-6-7-11-24-22)14-26-13-19(12-23)21(15-26)18-8-4-3-5-9-18/h3-11,19,21H,12-15,23H2,1-2H3/t19-,21+/m1/s1
InChIKeyGXWFGCCEKXWDCR-CTNGQTDRSA-N
MW361.49 g/mol
LogP3.06
Rot. Bonds5

About [(3R,4R)-1-[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methyl]-4-phenylpyrrolidin-3-yl]methanamine

[(3R,4R)-1-[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methyl]-4-phenylpyrrolidin-3-yl]methanamine (PubChem CID 120846631) has the molecular formula C22H27N5 and a molecular weight of 361.49 g/mol. Its IUPAC name is [(3R,4R)-1-[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methyl]-4-phenylpyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[(3R,4R)-1-[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methyl]-4-phenylpyrrolidin-3-yl]methanamine
PubChem CID120846631
Molecular FormulaC22H27N5
Molecular Weight361.49 g/mol
Exact Mass361.23
IUPAC Name[(3R,4R)-1-[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methyl]-4-phenylpyrrolidin-3-yl]methanamine
SMILESCc1nn(-c2ccccn2)c(C)c1CN1C[C@@H](CN)[C@H](c2ccccc2)C1
InChIInChI=1S/C22H27N5/c1-16-20(17(2)27(25-16)22-10-6-7-11-24-22)14-26-13-19(12-23)21(15-26)18-8-4-3-5-9-18/h3-11,19,21H,12-15,23H2,1-2H3/t19-,21+/m1/s1
InChIKeyGXWFGCCEKXWDCR-CTNGQTDRSA-N
XLogP3.06
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(3R,4R)-1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-phenylpyrrolidin-3-yl]methanamine
CID 120769604
[(3R,4R)-1-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methyl]-4-phenylpyrrolidin-3-yl]methanamine
CID 120769600
1-[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methyl]-4-methylpyrrolidin-3-amine
CID 120909143
1-[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride
CID 120909142
(3aS,6aR)-5-[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 120846063
[(3R,4R)-1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-4-phenylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120769189
1-[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methyl]-N-methylpyrrolidin-3-amine
CID 120834049
[(3R,4R)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-phenylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120769359
1-[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methyl]piperazine;hydrochloride
CID 120833599
[(3R,4R)-1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-4-phenylpyrrolidin-3-yl]methanamine
CID 120846709
[(3R,4R)-1-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-4-phenylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120769385
[(3R,4R)-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-phenylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120759213

Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-1-[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methyl]-4-phenylpyrrolidin-3-yl]methanamine?
The IUPAC name of [(3R,4R)-1-[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methyl]-4-phenylpyrrolidin-3-yl]methanamine (CID 120846631) is [(3R,4R)-1-[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methyl]-4-phenylpyrrolidin-3-yl]methanamine.
What is the SMILES notation for [(3R,4R)-1-[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methyl]-4-phenylpyrrolidin-3-yl]methanamine?
The canonical SMILES for [(3R,4R)-1-[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methyl]-4-phenylpyrrolidin-3-yl]methanamine is Cc1nn(-c2ccccn2)c(C)c1CN1C[C@@H](CN)[C@H](c2ccccc2)C1.
What is the InChIKey of [(3R,4R)-1-[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methyl]-4-phenylpyrrolidin-3-yl]methanamine?
The InChIKey is GXWFGCCEKXWDCR-CTNGQTDRSA-N. The full InChI is InChI=1S/C22H27N5/c1-16-20(17(2)27(25-16)22-10-6-7-11-24-22)14-26-13-19(12-23)21(15-26)18-8-4-3-5-9-18/h3-11,19,21H,12-15,23H2,1-2H3/t19-,21+/m1/s1.
What are the key properties of [(3R,4R)-1-[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methyl]-4-phenylpyrrolidin-3-yl]methanamine?
[(3R,4R)-1-[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methyl]-4-phenylpyrrolidin-3-yl]methanamine has a molecular weight of 361.49 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-1-[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methyl]-4-phenylpyrrolidin-3-yl]methanamine is sourced from PubChem (CID 120846631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).