[(3R,5R)-3,5-dimethylpiperazin-1-yl]-[1-(4,6-dimethylpyrimidin-2-yl)-3-propan-2-ylpyrazol-4-yl]methanone

C19H28N6O — CID 124589620

IUPAC[(3R,5R)-3,5-dimethylpiperazin-1-yl]-[1-(4,6-dimethylpyrimidin-2-yl)-3-propan-2-ylpyrazol-4-yl]methanone
SMILESCc1cc(C)nc(-n2cc(C(=O)N3C[C@@H](C)N[C@H](C)C3)c(C(C)C)n2)n1
InChIInChI=1S/C19H28N6O/c1-11(2)17-16(18(26)24-8-14(5)20-15(6)9-24)10-25(23-17)19-21-12(3)7-13(4)22-19/h7,10-11,14-15,20H,8-9H2,1-6H3/t14-,15-/m1/s1
InChIKeyBWFXHXDWWMIOTB-HUUCEWRRSA-N
MW356.47 g/mol
LogP2.22
Rot. Bonds3

About [(3R,5R)-3,5-dimethylpiperazin-1-yl]-[1-(4,6-dimethylpyrimidin-2-yl)-3-propan-2-ylpyrazol-4-yl]methanone

[(3R,5R)-3,5-dimethylpiperazin-1-yl]-[1-(4,6-dimethylpyrimidin-2-yl)-3-propan-2-ylpyrazol-4-yl]methanone (PubChem CID 124589620) has the molecular formula C19H28N6O and a molecular weight of 356.47 g/mol. Its IUPAC name is [(3R,5R)-3,5-dimethylpiperazin-1-yl]-[1-(4,6-dimethylpyrimidin-2-yl)-3-propan-2-ylpyrazol-4-yl]methanone.

Molecular Properties

Compound Name[(3R,5R)-3,5-dimethylpiperazin-1-yl]-[1-(4,6-dimethylpyrimidin-2-yl)-3-propan-2-ylpyrazol-4-yl]methanone
PubChem CID124589620
Molecular FormulaC19H28N6O
Molecular Weight356.47 g/mol
Exact Mass356.23
IUPAC Name[(3R,5R)-3,5-dimethylpiperazin-1-yl]-[1-(4,6-dimethylpyrimidin-2-yl)-3-propan-2-ylpyrazol-4-yl]methanone
SMILESCc1cc(C)nc(-n2cc(C(=O)N3C[C@@H](C)N[C@H](C)C3)c(C(C)C)n2)n1
InChIInChI=1S/C19H28N6O/c1-11(2)17-16(18(26)24-8-14(5)20-15(6)9-24)10-25(23-17)19-21-12(3)7-13(4)22-19/h7,10-11,14-15,20H,8-9H2,1-6H3/t14-,15-/m1/s1
InChIKeyBWFXHXDWWMIOTB-HUUCEWRRSA-N
XLogP2.22
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(3R,5R)-3,5-dimethylpiperazin-1-yl]-[1-(4,6-dimethylpyrimidin-2-yl)-3-propan-2-ylpyrazol-4-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

3-[(3R)-1-[1-(4,6-dimethylpyrimidin-2-yl)-3-propan-2-ylpyrazole-4-carbonyl]piperidin-3-yl]propanoic acid
CID 124681902
[(3R,5R)-3,5-dimethylpiperazin-1-yl]-[1-[(3S)-1,1-dioxothiolan-3-yl]-3-propan-2-ylpyrazol-4-yl]methanone
CID 125147062
[(3R,5S)-3,5-dimethylpiperazin-1-yl]-(6-methoxy-2-methylquinolin-4-yl)methanone
CID 124590384
[(3S,5S)-3,5-dimethylpiperazin-1-yl]-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-4-yl]methanone
CID 124589246
(3,5-dimethylpiperazin-1-yl)-(1-methylimidazol-4-yl)methanone
CID 20703295
(3,5-dimethylpiperazin-1-yl)-(5-methylpyrazin-2-yl)methanone;dihydrochloride
CID 119564341
(2-chloro-5-methylsulfanylphenyl)-(3,5-dimethylpiperazin-1-yl)methanone
CID 63872143
4-(3,5-dimethylpiperazine-1-carbonyl)-2-propan-2-ylphthalazin-1-one
CID 119564265
[2-chloro-4-(tetrazol-1-yl)phenyl]-[(3R,5R)-3,5-dimethylpiperazin-1-yl]methanone
CID 124589606
(3,5-dimethylpiperazin-1-yl)-quinolin-8-ylmethanone;dihydrochloride
CID 119564484
1-(3,5-dimethylpiperazin-1-yl)-2-(3,5-dimethylpyrazol-1-yl)ethanone
CID 63863889
(2-chloro-4-fluorophenyl)-(3,5-dimethylpiperazin-1-yl)methanone
CID 63863883

Frequently Asked Questions

What is the IUPAC name of [(3R,5R)-3,5-dimethylpiperazin-1-yl]-[1-(4,6-dimethylpyrimidin-2-yl)-3-propan-2-ylpyrazol-4-yl]methanone?
The IUPAC name of [(3R,5R)-3,5-dimethylpiperazin-1-yl]-[1-(4,6-dimethylpyrimidin-2-yl)-3-propan-2-ylpyrazol-4-yl]methanone (CID 124589620) is [(3R,5R)-3,5-dimethylpiperazin-1-yl]-[1-(4,6-dimethylpyrimidin-2-yl)-3-propan-2-ylpyrazol-4-yl]methanone.
What is the SMILES notation for [(3R,5R)-3,5-dimethylpiperazin-1-yl]-[1-(4,6-dimethylpyrimidin-2-yl)-3-propan-2-ylpyrazol-4-yl]methanone?
The canonical SMILES for [(3R,5R)-3,5-dimethylpiperazin-1-yl]-[1-(4,6-dimethylpyrimidin-2-yl)-3-propan-2-ylpyrazol-4-yl]methanone is Cc1cc(C)nc(-n2cc(C(=O)N3C[C@@H](C)N[C@H](C)C3)c(C(C)C)n2)n1.
What is the InChIKey of [(3R,5R)-3,5-dimethylpiperazin-1-yl]-[1-(4,6-dimethylpyrimidin-2-yl)-3-propan-2-ylpyrazol-4-yl]methanone?
The InChIKey is BWFXHXDWWMIOTB-HUUCEWRRSA-N. The full InChI is InChI=1S/C19H28N6O/c1-11(2)17-16(18(26)24-8-14(5)20-15(6)9-24)10-25(23-17)19-21-12(3)7-13(4)22-19/h7,10-11,14-15,20H,8-9H2,1-6H3/t14-,15-/m1/s1.
What are the key properties of [(3R,5R)-3,5-dimethylpiperazin-1-yl]-[1-(4,6-dimethylpyrimidin-2-yl)-3-propan-2-ylpyrazol-4-yl]methanone?
[(3R,5R)-3,5-dimethylpiperazin-1-yl]-[1-(4,6-dimethylpyrimidin-2-yl)-3-propan-2-ylpyrazol-4-yl]methanone has a molecular weight of 356.47 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,5R)-3,5-dimethylpiperazin-1-yl]-[1-(4,6-dimethylpyrimidin-2-yl)-3-propan-2-ylpyrazol-4-yl]methanone is sourced from PubChem (CID 124589620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).