1-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-3-(1H-pyrazol-4-yl)propan-1-one

C18H23N3O — CID 126434334

IUPAC1-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-3-(1H-pyrazol-4-yl)propan-1-one
SMILESCC1(C)CN(C(=O)CCc2cn[nH]c2)C[C@@H]1c1ccccc1
InChIInChI=1S/C18H23N3O/c1-18(2)13-21(12-16(18)15-6-4-3-5-7-15)17(22)9-8-14-10-19-20-11-14/h3-7,10-11,16H,8-9,12-13H2,1-2H3,(H,19,20)/t16-/m1/s1
InChIKeyWKGDOOMCQMJENZ-MRXNPFEDSA-N
MW297.40 g/mol
LogP2.99
Rot. Bonds4

About 1-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-3-(1H-pyrazol-4-yl)propan-1-one

1-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-3-(1H-pyrazol-4-yl)propan-1-one (PubChem CID 126434334) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 1-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-3-(1H-pyrazol-4-yl)propan-1-one.

Molecular Properties

Compound Name1-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-3-(1H-pyrazol-4-yl)propan-1-one
PubChem CID126434334
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name1-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-3-(1H-pyrazol-4-yl)propan-1-one
SMILESCC1(C)CN(C(=O)CCc2cn[nH]c2)C[C@@H]1c1ccccc1
InChIInChI=1S/C18H23N3O/c1-18(2)13-21(12-16(18)15-6-4-3-5-7-15)17(22)9-8-14-10-19-20-11-14/h3-7,10-11,16H,8-9,12-13H2,1-2H3,(H,19,20)/t16-/m1/s1
InChIKeyWKGDOOMCQMJENZ-MRXNPFEDSA-N
XLogP2.99
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4S)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-3-(1H-pyrazol-4-yl)propan-1-one
CID 126434333
3-(3-chloro-1H-1,2,4-triazol-5-yl)-1-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]propan-1-one
CID 126435881
[(4S)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 126440527
4-[3a-(hydroxymethyl)-5-[3-(1H-pyrazol-4-yl)propanoyl]-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-2-yl]-4-oxobutane-1-sulfonamide
CID 138381738
1-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-2-morpholin-4-ylethanone
CID 97110715
4-[2-(3,3-dimethyl-4-phenylpyrrolidin-1-yl)-2-oxoethyl]-1,2-dihydropyridazine-3,6-dione
CID 119066565
1-[2-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-2-oxoethyl]-5-methylpyrimidine-2,4-dione
CID 126450682
1-benzyl-3-methyl-4-[3-(1H-pyrazol-4-yl)propanoyl]piperazin-2-one
CID 45168454
[(4S)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-(5-ethyl-1H-pyrazol-3-yl)methanone
CID 124569564
[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 124570113
1-[7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3-(1H-pyrazol-4-yl)propan-1-one
CID 164696999
1-[4-[(2S)-1-methylpyrrolidine-2-carbonyl]-1,4-diazepan-1-yl]-3-(1H-pyrazol-4-yl)propan-1-one
CID 134704915

Frequently Asked Questions

What is the IUPAC name of 1-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-3-(1H-pyrazol-4-yl)propan-1-one?
The IUPAC name of 1-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-3-(1H-pyrazol-4-yl)propan-1-one (CID 126434334) is 1-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-3-(1H-pyrazol-4-yl)propan-1-one.
What is the SMILES notation for 1-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-3-(1H-pyrazol-4-yl)propan-1-one?
The canonical SMILES for 1-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-3-(1H-pyrazol-4-yl)propan-1-one is CC1(C)CN(C(=O)CCc2cn[nH]c2)C[C@@H]1c1ccccc1.
What is the InChIKey of 1-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-3-(1H-pyrazol-4-yl)propan-1-one?
The InChIKey is WKGDOOMCQMJENZ-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H23N3O/c1-18(2)13-21(12-16(18)15-6-4-3-5-7-15)17(22)9-8-14-10-19-20-11-14/h3-7,10-11,16H,8-9,12-13H2,1-2H3,(H,19,20)/t16-/m1/s1.
What are the key properties of 1-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-3-(1H-pyrazol-4-yl)propan-1-one?
1-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-3-(1H-pyrazol-4-yl)propan-1-one has a molecular weight of 297.40 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-3-(1H-pyrazol-4-yl)propan-1-one is sourced from PubChem (CID 126434334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).