(3S,4R)-1-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-4-phenylpyrrolidin-3-amine

C19H22N4O — CID 120769920

IUPAC(3S,4R)-1-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-4-phenylpyrrolidin-3-amine
SMILESCc1ccc(-c2[nH]ncc2CN2C[C@@H](N)[C@H](c3ccccc3)C2)o1
InChIInChI=1S/C19H22N4O/c1-13-7-8-18(24-13)19-15(9-21-22-19)10-23-11-16(17(20)12-23)14-5-3-2-4-6-14/h2-9,16-17H,10-12,20H2,1H3,(H,21,22)/t16-,17+/m0/s1
InChIKeyFQHYNUNWFBTYCH-DLBZAZTESA-N
MW322.41 g/mol
LogP2.90
Rot. Bonds4

About (3S,4R)-1-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-4-phenylpyrrolidin-3-amine

(3S,4R)-1-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-4-phenylpyrrolidin-3-amine (PubChem CID 120769920) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is (3S,4R)-1-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-4-phenylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3S,4R)-1-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-4-phenylpyrrolidin-3-amine
PubChem CID120769920
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name(3S,4R)-1-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-4-phenylpyrrolidin-3-amine
SMILESCc1ccc(-c2[nH]ncc2CN2C[C@@H](N)[C@H](c3ccccc3)C2)o1
InChIInChI=1S/C19H22N4O/c1-13-7-8-18(24-13)19-15(9-21-22-19)10-23-11-16(17(20)12-23)14-5-3-2-4-6-14/h2-9,16-17H,10-12,20H2,1H3,(H,21,22)/t16-,17+/m0/s1
InChIKeyFQHYNUNWFBTYCH-DLBZAZTESA-N
XLogP2.90
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S,4R)-1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-4-phenylpyrrolidin-3-amine;hydrochloride
CID 120770498
[(3S,4R)-1-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-4-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]methanol
CID 120602675
(3S,4R)-1-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-4-phenylpyrrolidin-3-amine;hydrochloride
CID 120770420
(3S,4R)-1-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-4-phenylpyrrolidin-3-amine
CID 120770086
(3S,4R)-1-[[2-(dimethylamino)phenyl]methyl]-4-phenylpyrrolidin-3-amine
CID 120770437
N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-phenylpiperidin-4-amine
CID 47621541
(3S,4R)-1-[(2,4-dimethylphenyl)methyl]-4-phenylpyrrolidin-3-amine
CID 120770244
4-[[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]methyl]pyrrolidin-3-ol
CID 120962125
(3S,4R)-1-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-4-phenylpyrrolidin-3-amine
CID 120770405
(3S,4R)-1-[(2-methoxyphenyl)methyl]-4-phenylpyrrolidin-3-amine
CID 120770365
(3S,4R)-1-[(4-bromo-1-methylpyrazol-5-yl)methyl]-4-phenylpyrrolidin-3-amine
CID 120846799
3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-1-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]piperidine
CID 166194627

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-1-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-4-phenylpyrrolidin-3-amine?
The IUPAC name of (3S,4R)-1-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-4-phenylpyrrolidin-3-amine (CID 120769920) is (3S,4R)-1-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-4-phenylpyrrolidin-3-amine.
What is the SMILES notation for (3S,4R)-1-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-4-phenylpyrrolidin-3-amine?
The canonical SMILES for (3S,4R)-1-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-4-phenylpyrrolidin-3-amine is Cc1ccc(-c2[nH]ncc2CN2C[C@@H](N)[C@H](c3ccccc3)C2)o1.
What is the InChIKey of (3S,4R)-1-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-4-phenylpyrrolidin-3-amine?
The InChIKey is FQHYNUNWFBTYCH-DLBZAZTESA-N. The full InChI is InChI=1S/C19H22N4O/c1-13-7-8-18(24-13)19-15(9-21-22-19)10-23-11-16(17(20)12-23)14-5-3-2-4-6-14/h2-9,16-17H,10-12,20H2,1H3,(H,21,22)/t16-,17+/m0/s1.
What are the key properties of (3S,4R)-1-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-4-phenylpyrrolidin-3-amine?
(3S,4R)-1-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-4-phenylpyrrolidin-3-amine has a molecular weight of 322.41 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-1-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-4-phenylpyrrolidin-3-amine is sourced from PubChem (CID 120769920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).