(5-amino-1-phenylpyrazol-4-yl)-[(2R)-1-(2,4-dimethylpyrimidine-5-carbonyl)pyrrolidin-2-yl]methanone

C21H22N6O2 — CID 92594883

IUPAC(5-amino-1-phenylpyrazol-4-yl)-[(2R)-1-(2,4-dimethylpyrimidine-5-carbonyl)pyrrolidin-2-yl]methanone
SMILESCc1ncc(C(=O)N2CCC[C@@H]2C(=O)c2cnn(-c3ccccc3)c2N)c(C)n1
InChIInChI=1S/C21H22N6O2/c1-13-16(11-23-14(2)25-13)21(29)26-10-6-9-18(26)19(28)17-12-24-27(20(17)22)15-7-4-3-5-8-15/h3-5,7-8,11-12,18H,6,9-10,22H2,1-2H3/t18-/m1/s1
InChIKeyLQAUNQLJVNPMNK-GOSISDBHSA-N
MW390.45 g/mol
LogP2.35
Rot. Bonds4

About (5-amino-1-phenylpyrazol-4-yl)-[(2R)-1-(2,4-dimethylpyrimidine-5-carbonyl)pyrrolidin-2-yl]methanone

(5-amino-1-phenylpyrazol-4-yl)-[(2R)-1-(2,4-dimethylpyrimidine-5-carbonyl)pyrrolidin-2-yl]methanone (PubChem CID 92594883) has the molecular formula C21H22N6O2 and a molecular weight of 390.45 g/mol. Its IUPAC name is (5-amino-1-phenylpyrazol-4-yl)-[(2R)-1-(2,4-dimethylpyrimidine-5-carbonyl)pyrrolidin-2-yl]methanone.

Molecular Properties

Compound Name(5-amino-1-phenylpyrazol-4-yl)-[(2R)-1-(2,4-dimethylpyrimidine-5-carbonyl)pyrrolidin-2-yl]methanone
PubChem CID92594883
Molecular FormulaC21H22N6O2
Molecular Weight390.45 g/mol
Exact Mass390.18
IUPAC Name(5-amino-1-phenylpyrazol-4-yl)-[(2R)-1-(2,4-dimethylpyrimidine-5-carbonyl)pyrrolidin-2-yl]methanone
SMILESCc1ncc(C(=O)N2CCC[C@@H]2C(=O)c2cnn(-c3ccccc3)c2N)c(C)n1
InChIInChI=1S/C21H22N6O2/c1-13-16(11-23-14(2)25-13)21(29)26-10-6-9-18(26)19(28)17-12-24-27(20(17)22)15-7-4-3-5-8-15/h3-5,7-8,11-12,18H,6,9-10,22H2,1-2H3/t18-/m1/s1
InChIKeyLQAUNQLJVNPMNK-GOSISDBHSA-N
XLogP2.35
TPSA107.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.45
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(5-amino-1-phenylpyrazol-4-yl)-[(2S)-1-(2,4-dimethylpyrimidine-5-carbonyl)pyrrolidin-2-yl]methanone
CID 92594885
(5-amino-1-phenylpyrazol-4-yl)-[1-(pyridine-2-carbonyl)pyrrolidin-2-yl]methanone
CID 110239808
(5-amino-1-phenylpyrazol-4-yl)-[(2R)-1-(1,2-oxazole-5-carbonyl)pyrrolidin-2-yl]methanone
CID 92575873
[5-amino-1-(3-fluorophenyl)pyrazol-4-yl]-[(2R)-1-(1,5-dimethylpyrazole-4-carbonyl)pyrrolidin-2-yl]methanone
CID 92595192
[(2R)-2-[5-amino-1-(4-methylphenyl)pyrazole-4-carbonyl]pyrrolidin-1-yl]-cyclopropylmethanone
CID 92558469
[(2S)-2-[5-amino-1-(4-methylphenyl)pyrazole-4-carbonyl]pyrrolidin-1-yl]-cyclopropylmethanone
CID 92558468
[5-amino-1-(4-methoxyphenyl)pyrazol-4-yl]-[1-(4-methylthiadiazole-5-carbonyl)pyrrolidin-2-yl]methanone
CID 110239869
1-[(2R)-2-[5-amino-1-(4-methylphenyl)pyrazole-4-carbonyl]pyrrolidin-1-yl]propan-1-one
CID 92585244
[5-amino-1-(4-methoxyphenyl)pyrazol-4-yl]-[1-(2,4-dimethylpyrimidine-5-carbonyl)pyrrolidin-3-yl]methanone
CID 110239771
[5-amino-1-(3-fluorophenyl)pyrazol-4-yl]-[1-(pyrazine-2-carbonyl)pyrrolidin-2-yl]methanone
CID 110239831
4-[(2R)-2-[5-amino-1-(3-fluorophenyl)pyrazole-4-carbonyl]pyrrolidine-1-carbonyl]-1-methylpyridin-2-one
CID 92567066
5-[2-[5-amino-1-(3-fluorophenyl)pyrazole-4-carbonyl]pyrrolidine-1-carbonyl]-1-methylpyridin-2-one
CID 110239841

Frequently Asked Questions

What is the IUPAC name of (5-amino-1-phenylpyrazol-4-yl)-[(2R)-1-(2,4-dimethylpyrimidine-5-carbonyl)pyrrolidin-2-yl]methanone?
The IUPAC name of (5-amino-1-phenylpyrazol-4-yl)-[(2R)-1-(2,4-dimethylpyrimidine-5-carbonyl)pyrrolidin-2-yl]methanone (CID 92594883) is (5-amino-1-phenylpyrazol-4-yl)-[(2R)-1-(2,4-dimethylpyrimidine-5-carbonyl)pyrrolidin-2-yl]methanone.
What is the SMILES notation for (5-amino-1-phenylpyrazol-4-yl)-[(2R)-1-(2,4-dimethylpyrimidine-5-carbonyl)pyrrolidin-2-yl]methanone?
The canonical SMILES for (5-amino-1-phenylpyrazol-4-yl)-[(2R)-1-(2,4-dimethylpyrimidine-5-carbonyl)pyrrolidin-2-yl]methanone is Cc1ncc(C(=O)N2CCC[C@@H]2C(=O)c2cnn(-c3ccccc3)c2N)c(C)n1.
What is the InChIKey of (5-amino-1-phenylpyrazol-4-yl)-[(2R)-1-(2,4-dimethylpyrimidine-5-carbonyl)pyrrolidin-2-yl]methanone?
The InChIKey is LQAUNQLJVNPMNK-GOSISDBHSA-N. The full InChI is InChI=1S/C21H22N6O2/c1-13-16(11-23-14(2)25-13)21(29)26-10-6-9-18(26)19(28)17-12-24-27(20(17)22)15-7-4-3-5-8-15/h3-5,7-8,11-12,18H,6,9-10,22H2,1-2H3/t18-/m1/s1.
What are the key properties of (5-amino-1-phenylpyrazol-4-yl)-[(2R)-1-(2,4-dimethylpyrimidine-5-carbonyl)pyrrolidin-2-yl]methanone?
(5-amino-1-phenylpyrazol-4-yl)-[(2R)-1-(2,4-dimethylpyrimidine-5-carbonyl)pyrrolidin-2-yl]methanone has a molecular weight of 390.45 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-1-phenylpyrazol-4-yl)-[(2R)-1-(2,4-dimethylpyrimidine-5-carbonyl)pyrrolidin-2-yl]methanone is sourced from PubChem (CID 92594883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).