(3S,4R)-1-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-4-phenylpyrrolidin-3-amine

C21H24N4 — CID 120770086

IUPAC(3S,4R)-1-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-4-phenylpyrrolidin-3-amine
SMILESCc1nn(-c2ccccc2)cc1CN1C[C@@H](N)[C@H](c2ccccc2)C1
InChIInChI=1S/C21H24N4/c1-16-18(13-25(23-16)19-10-6-3-7-11-19)12-24-14-20(21(22)15-24)17-8-4-2-5-9-17/h2-11,13,20-21H,12,14-15,22H2,1H3/t20-,21+/m0/s1
InChIKeyDELGFZGFCCGVCQ-LEWJYISDSA-N
MW332.45 g/mol
LogP3.11
Rot. Bonds4

About (3S,4R)-1-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-4-phenylpyrrolidin-3-amine

(3S,4R)-1-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-4-phenylpyrrolidin-3-amine (PubChem CID 120770086) has the molecular formula C21H24N4 and a molecular weight of 332.45 g/mol. Its IUPAC name is (3S,4R)-1-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-4-phenylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3S,4R)-1-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-4-phenylpyrrolidin-3-amine
PubChem CID120770086
Molecular FormulaC21H24N4
Molecular Weight332.45 g/mol
Exact Mass332.20
IUPAC Name(3S,4R)-1-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-4-phenylpyrrolidin-3-amine
SMILESCc1nn(-c2ccccc2)cc1CN1C[C@@H](N)[C@H](c2ccccc2)C1
InChIInChI=1S/C21H24N4/c1-16-18(13-25(23-16)19-10-6-3-7-11-19)12-24-14-20(21(22)15-24)17-8-4-2-5-9-17/h2-11,13,20-21H,12,14-15,22H2,1H3/t20-,21+/m0/s1
InChIKeyDELGFZGFCCGVCQ-LEWJYISDSA-N
XLogP3.11
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(3R,4R)-1-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-4-phenylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120769385
(3S,4R)-1-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-4-phenylpyrrolidin-3-amine
CID 120770405
(3S,4R)-1-[[2-(dimethylamino)phenyl]methyl]-4-phenylpyrrolidin-3-amine
CID 120770437
(3S,4R)-1-[(2,4-dimethylphenyl)methyl]-4-phenylpyrrolidin-3-amine
CID 120770244
(3S,4R)-1-[(2-methoxyphenyl)methyl]-4-phenylpyrrolidin-3-amine
CID 120770365
4-[1-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperidin-4-yl]pyridine
CID 77091492
(3S,4R)-1-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-phenylpyrrolidin-3-amine;hydrochloride
CID 120769889
5,5-difluoro-1-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperidine-3-carboxylic acid
CID 166267949
3-methyl-1-(4-methylphenyl)-4-[[3-(phenoxymethyl)azetidin-1-yl]methyl]pyrazole
CID 166398369
(3S,4R)-1-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-4-phenylpyrrolidin-3-amine
CID 120769920
(3S,4R)-1-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-4-phenylpyrrolidin-3-amine;hydrochloride
CID 120770095
1-[(2-methoxyphenyl)methyl]-4-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperazine
CID 77082596

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-1-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-4-phenylpyrrolidin-3-amine?
The IUPAC name of (3S,4R)-1-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-4-phenylpyrrolidin-3-amine (CID 120770086) is (3S,4R)-1-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-4-phenylpyrrolidin-3-amine.
What is the SMILES notation for (3S,4R)-1-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-4-phenylpyrrolidin-3-amine?
The canonical SMILES for (3S,4R)-1-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-4-phenylpyrrolidin-3-amine is Cc1nn(-c2ccccc2)cc1CN1C[C@@H](N)[C@H](c2ccccc2)C1.
What is the InChIKey of (3S,4R)-1-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-4-phenylpyrrolidin-3-amine?
The InChIKey is DELGFZGFCCGVCQ-LEWJYISDSA-N. The full InChI is InChI=1S/C21H24N4/c1-16-18(13-25(23-16)19-10-6-3-7-11-19)12-24-14-20(21(22)15-24)17-8-4-2-5-9-17/h2-11,13,20-21H,12,14-15,22H2,1H3/t20-,21+/m0/s1.
What are the key properties of (3S,4R)-1-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-4-phenylpyrrolidin-3-amine?
(3S,4R)-1-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-4-phenylpyrrolidin-3-amine has a molecular weight of 332.45 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-1-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-4-phenylpyrrolidin-3-amine is sourced from PubChem (CID 120770086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).