[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]methanone

C20H24N6O — CID 120749594

IUPAC[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]methanone
SMILESCc1nn(C)c(C)c1-c1cc(C(=O)N2C[C@@H](N)[C@H](c3ccccc3)C2)[nH]n1
InChIInChI=1S/C20H24N6O/c1-12-19(13(2)25(3)24-12)17-9-18(23-22-17)20(27)26-10-15(16(21)11-26)14-7-5-4-6-8-14/h4-9,15-16H,10-11,21H2,1-3H3,(H,22,23)/t15-,16+/m0/s1
InChIKeyGSGWGJJWPSGOEO-JKSUJKDBSA-N
MW364.45 g/mol
LogP1.99
Rot. Bonds3

About [(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]methanone

[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]methanone (PubChem CID 120749594) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is [(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]methanone.

Molecular Properties

Compound Name[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]methanone
PubChem CID120749594
Molecular FormulaC20H24N6O
Molecular Weight364.45 g/mol
Exact Mass364.20
IUPAC Name[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]methanone
SMILESCc1nn(C)c(C)c1-c1cc(C(=O)N2C[C@@H](N)[C@H](c3ccccc3)C2)[nH]n1
InChIInChI=1S/C20H24N6O/c1-12-19(13(2)25(3)24-12)17-9-18(23-22-17)20(27)26-10-15(16(21)11-26)14-7-5-4-6-8-14/h4-9,15-16H,10-11,21H2,1-3H3,(H,22,23)/t15-,16+/m0/s1
InChIKeyGSGWGJJWPSGOEO-JKSUJKDBSA-N
XLogP1.99
TPSA92.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

(3-aminopiperidin-1-yl)-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]methanone;hydrochloride
CID 119381724
(4-pyridin-2-ylpiperazin-1-yl)-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]methanone
CID 71700603
[(3S)-3-methyl-3-phenylpiperidin-1-yl]-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]methanone
CID 99123471
[4-(1-aminoethyl)piperidin-1-yl]-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]methanone;hydrochloride
CID 119520864
[3-(methylamino)piperidin-1-yl]-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]methanone;hydrochloride
CID 119493717
[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone;hydrochloride
CID 120746910
[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]methanone
CID 78886851
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]methanone
CID 78879881
5-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-2-methyl-1H-pyridin-4-one
CID 120750022
[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(5-ethyl-1H-pyrazol-3-yl)methanone;hydrochloride
CID 120747957
[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]methanone
CID 78879668
[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]methanone
CID 71708955

Frequently Asked Questions

What is the IUPAC name of [(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]methanone?
The IUPAC name of [(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]methanone (CID 120749594) is [(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]methanone.
What is the SMILES notation for [(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]methanone?
The canonical SMILES for [(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]methanone is Cc1nn(C)c(C)c1-c1cc(C(=O)N2C[C@@H](N)[C@H](c3ccccc3)C2)[nH]n1.
What is the InChIKey of [(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]methanone?
The InChIKey is GSGWGJJWPSGOEO-JKSUJKDBSA-N. The full InChI is InChI=1S/C20H24N6O/c1-12-19(13(2)25(3)24-12)17-9-18(23-22-17)20(27)26-10-15(16(21)11-26)14-7-5-4-6-8-14/h4-9,15-16H,10-11,21H2,1-3H3,(H,22,23)/t15-,16+/m0/s1.
What are the key properties of [(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]methanone?
[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]methanone has a molecular weight of 364.45 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]methanone is sourced from PubChem (CID 120749594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).