(5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-[(2R)-2-[(1R,2S)-2-hydroxycyclohexyl]pyrrolidin-1-yl]methanone

C19H26N4O2 — CID 129481058

IUPAC(5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-[(2R)-2-[(1R,2S)-2-hydroxycyclohexyl]pyrrolidin-1-yl]methanone
SMILESCc1nc2ccnn2c(C)c1C(=O)N1CCC[C@@H]1[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C19H26N4O2/c1-12-18(13(2)23-17(21-12)9-10-20-23)19(25)22-11-5-7-15(22)14-6-3-4-8-16(14)24/h9-10,14-16,24H,3-8,11H2,1-2H3/t14-,15-,16+/m1/s1
InChIKeyPZRLKCCLUWSOCN-OAGGEKHMSA-N
MW342.44 g/mol
LogP2.50
Rot. Bonds2

About (5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-[(2R)-2-[(1R,2S)-2-hydroxycyclohexyl]pyrrolidin-1-yl]methanone

(5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-[(2R)-2-[(1R,2S)-2-hydroxycyclohexyl]pyrrolidin-1-yl]methanone (PubChem CID 129481058) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is (5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-[(2R)-2-[(1R,2S)-2-hydroxycyclohexyl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-[(2R)-2-[(1R,2S)-2-hydroxycyclohexyl]pyrrolidin-1-yl]methanone
PubChem CID129481058
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name(5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-[(2R)-2-[(1R,2S)-2-hydroxycyclohexyl]pyrrolidin-1-yl]methanone
SMILESCc1nc2ccnn2c(C)c1C(=O)N1CCC[C@@H]1[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C19H26N4O2/c1-12-18(13(2)23-17(21-12)9-10-20-23)19(25)22-11-5-7-15(22)14-6-3-4-8-16(14)24/h9-10,14-16,24H,3-8,11H2,1-2H3/t14-,15-,16+/m1/s1
InChIKeyPZRLKCCLUWSOCN-OAGGEKHMSA-N
XLogP2.50
TPSA70.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-[(2R)-2-[(1R,2S)-2-hydroxycyclohexyl]pyrrolidin-1-yl]methanone?
The IUPAC name of (5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-[(2R)-2-[(1R,2S)-2-hydroxycyclohexyl]pyrrolidin-1-yl]methanone (CID 129481058) is (5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-[(2R)-2-[(1R,2S)-2-hydroxycyclohexyl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-[(2R)-2-[(1R,2S)-2-hydroxycyclohexyl]pyrrolidin-1-yl]methanone?
The canonical SMILES for (5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-[(2R)-2-[(1R,2S)-2-hydroxycyclohexyl]pyrrolidin-1-yl]methanone is Cc1nc2ccnn2c(C)c1C(=O)N1CCC[C@@H]1[C@H]1CCCC[C@@H]1O.
What is the InChIKey of (5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-[(2R)-2-[(1R,2S)-2-hydroxycyclohexyl]pyrrolidin-1-yl]methanone?
The InChIKey is PZRLKCCLUWSOCN-OAGGEKHMSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-12-18(13(2)23-17(21-12)9-10-20-23)19(25)22-11-5-7-15(22)14-6-3-4-8-16(14)24/h9-10,14-16,24H,3-8,11H2,1-2H3/t14-,15-,16+/m1/s1.
What are the key properties of (5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-[(2R)-2-[(1R,2S)-2-hydroxycyclohexyl]pyrrolidin-1-yl]methanone?
(5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-[(2R)-2-[(1R,2S)-2-hydroxycyclohexyl]pyrrolidin-1-yl]methanone has a molecular weight of 342.44 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-[(2R)-2-[(1R,2S)-2-hydroxycyclohexyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 129481058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).