[(3R,4R)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-phenylpyrrolidin-3-yl]methanamine;hydrochloride

C17H25ClN4 — CID 120769359

IUPAC[(3R,4R)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-phenylpyrrolidin-3-yl]methanamine;hydrochloride
SMILESCc1n[nH]c(C)c1CN1C[C@@H](CN)[C@H](c2ccccc2)C1.Cl
InChIInChI=1S/C17H24N4.ClH/c1-12-16(13(2)20-19-12)10-21-9-15(8-18)17(11-21)14-6-4-3-5-7-14;/h3-7,15,17H,8-11,18H2,1-2H3,(H,19,20);1H/t15-,17+;/m1./s1
InChIKeyVYPOKIZUHQQXIR-KALLACGZSA-N
MW320.87 g/mol
LogP2.62
Rot. Bonds4

About [(3R,4R)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-phenylpyrrolidin-3-yl]methanamine;hydrochloride

[(3R,4R)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-phenylpyrrolidin-3-yl]methanamine;hydrochloride (PubChem CID 120769359) has the molecular formula C17H25ClN4 and a molecular weight of 320.87 g/mol. Its IUPAC name is [(3R,4R)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-phenylpyrrolidin-3-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[(3R,4R)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-phenylpyrrolidin-3-yl]methanamine;hydrochloride
PubChem CID120769359
Molecular FormulaC17H25ClN4
Molecular Weight320.87 g/mol
Exact Mass320.18
IUPAC Name[(3R,4R)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-phenylpyrrolidin-3-yl]methanamine;hydrochloride
SMILESCc1n[nH]c(C)c1CN1C[C@@H](CN)[C@H](c2ccccc2)C1.Cl
InChIInChI=1S/C17H24N4.ClH/c1-12-16(13(2)20-19-12)10-21-9-15(8-18)17(11-21)14-6-4-3-5-7-14;/h3-7,15,17H,8-11,18H2,1-2H3,(H,19,20);1H/t15-,17+;/m1./s1
InChIKeyVYPOKIZUHQQXIR-KALLACGZSA-N
XLogP2.62
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.87
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [(3R,4R)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-phenylpyrrolidin-3-yl]methanamine;hydrochloride with MolForge

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Related Compounds

[(3R,4R)-1-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methyl]-4-phenylpyrrolidin-3-yl]methanamine
CID 120769600
[(3R,4R)-1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-phenylpyrrolidin-3-yl]methanamine
CID 120769604
[(3R,4R)-1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-4-phenylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120769189
[(3R,4R)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-phenylpyrrolidin-3-yl]methanamine;dihydrochloride
CID 120758486
[(3R,4R)-1-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-4-phenylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120769385
[(3R,4R)-1-[(4-bromophenyl)methyl]-4-phenylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120760026
[(3R,4R)-1-[(4-iodophenyl)methyl]-4-phenylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120759007
[(3R,4R)-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-phenylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120759213
[(3R,4R)-1-[(5-methyl-1,3-oxazol-2-yl)methyl]-4-phenylpyrrolidin-3-yl]methanamine;dihydrochloride
CID 120758945
[(3R,4R)-1-[(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)methyl]-4-phenylpyrrolidin-3-yl]methanamine
CID 120846631
[(3R,4R)-1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-4-phenylpyrrolidin-3-yl]methanamine
CID 120846709
[(3R,4R)-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]-4-phenylpyrrolidin-3-yl]methanamine;dihydrochloride
CID 120759423

Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-phenylpyrrolidin-3-yl]methanamine;hydrochloride?
The IUPAC name of [(3R,4R)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-phenylpyrrolidin-3-yl]methanamine;hydrochloride (CID 120769359) is [(3R,4R)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-phenylpyrrolidin-3-yl]methanamine;hydrochloride.
What is the SMILES notation for [(3R,4R)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-phenylpyrrolidin-3-yl]methanamine;hydrochloride?
The canonical SMILES for [(3R,4R)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-phenylpyrrolidin-3-yl]methanamine;hydrochloride is Cc1n[nH]c(C)c1CN1C[C@@H](CN)[C@H](c2ccccc2)C1.Cl.
What is the InChIKey of [(3R,4R)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-phenylpyrrolidin-3-yl]methanamine;hydrochloride?
The InChIKey is VYPOKIZUHQQXIR-KALLACGZSA-N. The full InChI is InChI=1S/C17H24N4.ClH/c1-12-16(13(2)20-19-12)10-21-9-15(8-18)17(11-21)14-6-4-3-5-7-14;/h3-7,15,17H,8-11,18H2,1-2H3,(H,19,20);1H/t15-,17+;/m1./s1.
What are the key properties of [(3R,4R)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-phenylpyrrolidin-3-yl]methanamine;hydrochloride?
[(3R,4R)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-phenylpyrrolidin-3-yl]methanamine;hydrochloride has a molecular weight of 320.87 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-phenylpyrrolidin-3-yl]methanamine;hydrochloride is sourced from PubChem (CID 120769359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).