1-[(3R)-3-[5-amino-1-(4-methylphenyl)pyrazole-4-carbonyl]pyrrolidin-1-yl]-4-pyridin-2-ylbutan-1-one

C24H27N5O2 — CID 92558500

IUPAC1-[(3R)-3-[5-amino-1-(4-methylphenyl)pyrazole-4-carbonyl]pyrrolidin-1-yl]-4-pyridin-2-ylbutan-1-one
SMILESCc1ccc(-n2ncc(C(=O)[C@@H]3CCN(C(=O)CCCc4ccccn4)C3)c2N)cc1
InChIInChI=1S/C24H27N5O2/c1-17-8-10-20(11-9-17)29-24(25)21(15-27-29)23(31)18-12-14-28(16-18)22(30)7-4-6-19-5-2-3-13-26-19/h2-3,5,8-11,13,15,18H,4,6-7,12,14,16,25H2,1H3/t18-/m1/s1
InChIKeyMHQFBDKCOWCMPR-GOSISDBHSA-N
MW417.51 g/mol
LogP3.21
Rot. Bonds7

About 1-[(3R)-3-[5-amino-1-(4-methylphenyl)pyrazole-4-carbonyl]pyrrolidin-1-yl]-4-pyridin-2-ylbutan-1-one

1-[(3R)-3-[5-amino-1-(4-methylphenyl)pyrazole-4-carbonyl]pyrrolidin-1-yl]-4-pyridin-2-ylbutan-1-one (PubChem CID 92558500) has the molecular formula C24H27N5O2 and a molecular weight of 417.51 g/mol. Its IUPAC name is 1-[(3R)-3-[5-amino-1-(4-methylphenyl)pyrazole-4-carbonyl]pyrrolidin-1-yl]-4-pyridin-2-ylbutan-1-one.

Molecular Properties

Compound Name1-[(3R)-3-[5-amino-1-(4-methylphenyl)pyrazole-4-carbonyl]pyrrolidin-1-yl]-4-pyridin-2-ylbutan-1-one
PubChem CID92558500
Molecular FormulaC24H27N5O2
Molecular Weight417.51 g/mol
Exact Mass417.22
IUPAC Name1-[(3R)-3-[5-amino-1-(4-methylphenyl)pyrazole-4-carbonyl]pyrrolidin-1-yl]-4-pyridin-2-ylbutan-1-one
SMILESCc1ccc(-n2ncc(C(=O)[C@@H]3CCN(C(=O)CCCc4ccccn4)C3)c2N)cc1
InChIInChI=1S/C24H27N5O2/c1-17-8-10-20(11-9-17)29-24(25)21(15-27-29)23(31)18-12-14-28(16-18)22(30)7-4-6-19-5-2-3-13-26-19/h2-3,5,8-11,13,15,18H,4,6-7,12,14,16,25H2,1H3/t18-/m1/s1
InChIKeyMHQFBDKCOWCMPR-GOSISDBHSA-N
XLogP3.21
TPSA94.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(3R)-3-[5-amino-1-(4-methylphenyl)pyrazole-4-carbonyl]pyrrolidin-1-yl]-3-[methyl(pyridin-2-ylmethyl)amino]propan-1-one
CID 92558506
1-[(3R)-3-[5-amino-1-(4-methylphenyl)pyrazole-4-carbonyl]pyrrolidin-1-yl]-3-[methyl(pyridin-3-ylmethyl)amino]propan-1-one
CID 92558508
1-[3-(5-amino-1-phenylpyrazole-4-carbonyl)pyrrolidin-1-yl]-4-(3,5-dimethylpyrazol-1-yl)butan-1-one
CID 110239744
1-[(3S)-3-[5-amino-1-(4-methylphenyl)pyrazole-4-carbonyl]piperidin-1-yl]-4-(3,5-dimethylpyrazol-1-yl)butan-1-one
CID 92558455
1-[4-[3-(5-amino-1-phenylpyrazole-4-carbonyl)pyrrolidin-1-yl]-4-oxobutyl]-4,6-dimethylpyrimidin-2-one
CID 110239747
1-[3-(5-amino-1-phenylpyrazole-4-carbonyl)pyrrolidin-1-yl]-3-(3,4,5-trimethylpyrazol-1-yl)propan-1-one
CID 110239743
1-[(3R)-3-[5-amino-1-(4-methoxyphenyl)pyrazole-4-carbonyl]piperidin-1-yl]-4-pyridin-4-ylbutan-1-one
CID 92597097
1-[3-(5-amino-1-phenylpyrazole-4-carbonyl)pyrrolidin-1-yl]-3-(3-methoxy-1,2-oxazol-5-yl)propan-1-one
CID 110239741
(5-amino-1-phenylpyrazol-4-yl)-(1-benzoylpyrrolidin-3-yl)methanone
CID 110239730
1-[(3R)-3-[5-amino-1-(4-methoxyphenyl)pyrazole-4-carbonyl]pyrrolidin-1-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one
CID 92605607
1-[(3S)-3-[5-amino-1-(4-methoxyphenyl)pyrazole-4-carbonyl]piperidin-1-yl]-3-(1,2-oxazol-5-yl)propan-1-one
CID 92597106
[5-amino-1-(4-methoxyphenyl)pyrazol-4-yl]-[1-(2,4-dimethylpyrimidine-5-carbonyl)pyrrolidin-3-yl]methanone
CID 110239771

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-[5-amino-1-(4-methylphenyl)pyrazole-4-carbonyl]pyrrolidin-1-yl]-4-pyridin-2-ylbutan-1-one?
The IUPAC name of 1-[(3R)-3-[5-amino-1-(4-methylphenyl)pyrazole-4-carbonyl]pyrrolidin-1-yl]-4-pyridin-2-ylbutan-1-one (CID 92558500) is 1-[(3R)-3-[5-amino-1-(4-methylphenyl)pyrazole-4-carbonyl]pyrrolidin-1-yl]-4-pyridin-2-ylbutan-1-one.
What is the SMILES notation for 1-[(3R)-3-[5-amino-1-(4-methylphenyl)pyrazole-4-carbonyl]pyrrolidin-1-yl]-4-pyridin-2-ylbutan-1-one?
The canonical SMILES for 1-[(3R)-3-[5-amino-1-(4-methylphenyl)pyrazole-4-carbonyl]pyrrolidin-1-yl]-4-pyridin-2-ylbutan-1-one is Cc1ccc(-n2ncc(C(=O)[C@@H]3CCN(C(=O)CCCc4ccccn4)C3)c2N)cc1.
What is the InChIKey of 1-[(3R)-3-[5-amino-1-(4-methylphenyl)pyrazole-4-carbonyl]pyrrolidin-1-yl]-4-pyridin-2-ylbutan-1-one?
The InChIKey is MHQFBDKCOWCMPR-GOSISDBHSA-N. The full InChI is InChI=1S/C24H27N5O2/c1-17-8-10-20(11-9-17)29-24(25)21(15-27-29)23(31)18-12-14-28(16-18)22(30)7-4-6-19-5-2-3-13-26-19/h2-3,5,8-11,13,15,18H,4,6-7,12,14,16,25H2,1H3/t18-/m1/s1.
What are the key properties of 1-[(3R)-3-[5-amino-1-(4-methylphenyl)pyrazole-4-carbonyl]pyrrolidin-1-yl]-4-pyridin-2-ylbutan-1-one?
1-[(3R)-3-[5-amino-1-(4-methylphenyl)pyrazole-4-carbonyl]pyrrolidin-1-yl]-4-pyridin-2-ylbutan-1-one has a molecular weight of 417.51 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-[5-amino-1-(4-methylphenyl)pyrazole-4-carbonyl]pyrrolidin-1-yl]-4-pyridin-2-ylbutan-1-one is sourced from PubChem (CID 92558500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).