5-[(3S)-1-(1,5-dimethylpyrazole-4-carbonyl)pyrrolidin-3-yl]-2-ethyl-3-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C19H24N6O2 — CID 98063631

IUPAC5-[(3S)-1-(1,5-dimethylpyrazole-4-carbonyl)pyrrolidin-3-yl]-2-ethyl-3-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCc1[nH]n2c(=O)cc([C@H]3CCN(C(=O)c4cnn(C)c4C)C3)nc2c1C
InChIInChI=1S/C19H24N6O2/c1-5-15-11(2)18-21-16(8-17(26)25(18)22-15)13-6-7-24(10-13)19(27)14-9-20-23(4)12(14)3/h8-9,13,22H,5-7,10H2,1-4H3/t13-/m0/s1
InChIKeyBOHVBFCZYCPCQP-ZDUSSCGKSA-N
MW368.44 g/mol
LogP1.57
Rot. Bonds3

About 5-[(3S)-1-(1,5-dimethylpyrazole-4-carbonyl)pyrrolidin-3-yl]-2-ethyl-3-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

5-[(3S)-1-(1,5-dimethylpyrazole-4-carbonyl)pyrrolidin-3-yl]-2-ethyl-3-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 98063631) has the molecular formula C19H24N6O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is 5-[(3S)-1-(1,5-dimethylpyrazole-4-carbonyl)pyrrolidin-3-yl]-2-ethyl-3-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-[(3S)-1-(1,5-dimethylpyrazole-4-carbonyl)pyrrolidin-3-yl]-2-ethyl-3-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID98063631
Molecular FormulaC19H24N6O2
Molecular Weight368.44 g/mol
Exact Mass368.20
IUPAC Name5-[(3S)-1-(1,5-dimethylpyrazole-4-carbonyl)pyrrolidin-3-yl]-2-ethyl-3-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCc1[nH]n2c(=O)cc([C@H]3CCN(C(=O)c4cnn(C)c4C)C3)nc2c1C
InChIInChI=1S/C19H24N6O2/c1-5-15-11(2)18-21-16(8-17(26)25(18)22-15)13-6-7-24(10-13)19(27)14-9-20-23(4)12(14)3/h8-9,13,22H,5-7,10H2,1-4H3/t13-/m0/s1
InChIKeyBOHVBFCZYCPCQP-ZDUSSCGKSA-N
XLogP1.57
TPSA88.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(3S)-1-(1,5-dimethylpyrazole-4-carbonyl)pyrrolidin-3-yl]-2-ethyl-3-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-[(3S)-1-(1,5-dimethylpyrazole-4-carbonyl)pyrrolidin-3-yl]-2-ethyl-3-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 98063631) is 5-[(3S)-1-(1,5-dimethylpyrazole-4-carbonyl)pyrrolidin-3-yl]-2-ethyl-3-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-[(3S)-1-(1,5-dimethylpyrazole-4-carbonyl)pyrrolidin-3-yl]-2-ethyl-3-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-[(3S)-1-(1,5-dimethylpyrazole-4-carbonyl)pyrrolidin-3-yl]-2-ethyl-3-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is CCc1[nH]n2c(=O)cc([C@H]3CCN(C(=O)c4cnn(C)c4C)C3)nc2c1C.
What is the InChIKey of 5-[(3S)-1-(1,5-dimethylpyrazole-4-carbonyl)pyrrolidin-3-yl]-2-ethyl-3-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is BOHVBFCZYCPCQP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H24N6O2/c1-5-15-11(2)18-21-16(8-17(26)25(18)22-15)13-6-7-24(10-13)19(27)14-9-20-23(4)12(14)3/h8-9,13,22H,5-7,10H2,1-4H3/t13-/m0/s1.
What are the key properties of 5-[(3S)-1-(1,5-dimethylpyrazole-4-carbonyl)pyrrolidin-3-yl]-2-ethyl-3-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-[(3S)-1-(1,5-dimethylpyrazole-4-carbonyl)pyrrolidin-3-yl]-2-ethyl-3-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 368.44 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3S)-1-(1,5-dimethylpyrazole-4-carbonyl)pyrrolidin-3-yl]-2-ethyl-3-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 98063631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).