(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-[(2R)-2-phenylpiperazin-1-yl]methanone

C19H21N5O — CID 124944166

IUPAC(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-[(2R)-2-phenylpiperazin-1-yl]methanone
SMILESCc1cc(C)n2nc(C(=O)N3CCNC[C@H]3c3ccccc3)cc2n1
InChIInChI=1S/C19H21N5O/c1-13-10-14(2)24-18(21-13)11-16(22-24)19(25)23-9-8-20-12-17(23)15-6-4-3-5-7-15/h3-7,10-11,17,20H,8-9,12H2,1-2H3/t17-/m0/s1
InChIKeyBHTZEMPXEGPCEY-KRWDZBQOSA-N
MW335.41 g/mol
LogP2.13
Rot. Bonds2

About (5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-[(2R)-2-phenylpiperazin-1-yl]methanone

(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-[(2R)-2-phenylpiperazin-1-yl]methanone (PubChem CID 124944166) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is (5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-[(2R)-2-phenylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-[(2R)-2-phenylpiperazin-1-yl]methanone
PubChem CID124944166
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-[(2R)-2-phenylpiperazin-1-yl]methanone
SMILESCc1cc(C)n2nc(C(=O)N3CCNC[C@H]3c3ccccc3)cc2n1
InChIInChI=1S/C19H21N5O/c1-13-10-14(2)24-18(21-13)11-16(22-24)19(25)23-9-8-20-12-17(23)15-6-4-3-5-7-15/h3-7,10-11,17,20H,8-9,12H2,1-2H3/t17-/m0/s1
InChIKeyBHTZEMPXEGPCEY-KRWDZBQOSA-N
XLogP2.13
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-[(2R)-2-phenylpiperazin-1-yl]methanone with MolForge

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Related Compounds

(1-methylpyrazol-3-yl)-[(2S)-2-phenylpiperazin-1-yl]methanone
CID 125020826
6-methyl-4-[(2S)-2-phenylpiperazine-1-carbonyl]-1H-pyrimidin-2-one
CID 124948429
(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120728919
[2-(3-chlorophenyl)piperazin-1-yl]-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone
CID 120801824
(5-methylpyrazin-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride
CID 120728916
[2-(2-chlorophenyl)piperazin-1-yl]-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone
CID 120738157
2-(3,5-dimethylpyrazol-1-yl)-1-[(2S)-2-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 124983690
[2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)methanone
CID 110104544
[(2S)-2-phenylpiperazin-1-yl]-pyridin-3-ylmethanone
CID 94993839
(1-ethyl-5-methylpyrazol-3-yl)-[(2S)-2-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 124958818
(2-methylpyrazol-3-yl)-[(2R)-2-phenylpiperazin-1-yl]methanone
CID 124995782
2-phenylpiperazine-1-carbonyl chloride
CID 154387784

Frequently Asked Questions

What is the IUPAC name of (5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-[(2R)-2-phenylpiperazin-1-yl]methanone?
The IUPAC name of (5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-[(2R)-2-phenylpiperazin-1-yl]methanone (CID 124944166) is (5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-[(2R)-2-phenylpiperazin-1-yl]methanone.
What is the SMILES notation for (5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-[(2R)-2-phenylpiperazin-1-yl]methanone?
The canonical SMILES for (5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-[(2R)-2-phenylpiperazin-1-yl]methanone is Cc1cc(C)n2nc(C(=O)N3CCNC[C@H]3c3ccccc3)cc2n1.
What is the InChIKey of (5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-[(2R)-2-phenylpiperazin-1-yl]methanone?
The InChIKey is BHTZEMPXEGPCEY-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H21N5O/c1-13-10-14(2)24-18(21-13)11-16(22-24)19(25)23-9-8-20-12-17(23)15-6-4-3-5-7-15/h3-7,10-11,17,20H,8-9,12H2,1-2H3/t17-/m0/s1.
What are the key properties of (5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-[(2R)-2-phenylpiperazin-1-yl]methanone?
(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-[(2R)-2-phenylpiperazin-1-yl]methanone has a molecular weight of 335.41 g/mol, XLogP of 2.13, 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-2-yl)-[(2R)-2-phenylpiperazin-1-yl]methanone is sourced from PubChem (CID 124944166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).