4-(3,5-dimethylpyrazol-1-yl)-1-[(2S)-2-(4-methylpyrimidin-2-yl)morpholin-4-yl]butan-1-one

C18H25N5O2 — CID 124974362

IUPAC4-(3,5-dimethylpyrazol-1-yl)-1-[(2S)-2-(4-methylpyrimidin-2-yl)morpholin-4-yl]butan-1-one
SMILESCc1ccnc([C@@H]2CN(C(=O)CCCn3nc(C)cc3C)CCO2)n1
InChIInChI=1S/C18H25N5O2/c1-13-6-7-19-18(20-13)16-12-22(9-10-25-16)17(24)5-4-8-23-15(3)11-14(2)21-23/h6-7,11,16H,4-5,8-10,12H2,1-3H3/t16-/m0/s1
InChIKeyKQHCKJRDCLPNKW-INIZCTEOSA-N
MW343.43 g/mol
LogP1.98
Rot. Bonds5

About 4-(3,5-dimethylpyrazol-1-yl)-1-[(2S)-2-(4-methylpyrimidin-2-yl)morpholin-4-yl]butan-1-one

4-(3,5-dimethylpyrazol-1-yl)-1-[(2S)-2-(4-methylpyrimidin-2-yl)morpholin-4-yl]butan-1-one (PubChem CID 124974362) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 4-(3,5-dimethylpyrazol-1-yl)-1-[(2S)-2-(4-methylpyrimidin-2-yl)morpholin-4-yl]butan-1-one.

Molecular Properties

Compound Name4-(3,5-dimethylpyrazol-1-yl)-1-[(2S)-2-(4-methylpyrimidin-2-yl)morpholin-4-yl]butan-1-one
PubChem CID124974362
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name4-(3,5-dimethylpyrazol-1-yl)-1-[(2S)-2-(4-methylpyrimidin-2-yl)morpholin-4-yl]butan-1-one
SMILESCc1ccnc([C@@H]2CN(C(=O)CCCn3nc(C)cc3C)CCO2)n1
InChIInChI=1S/C18H25N5O2/c1-13-6-7-19-18(20-13)16-12-22(9-10-25-16)17(24)5-4-8-23-15(3)11-14(2)21-23/h6-7,11,16H,4-5,8-10,12H2,1-3H3/t16-/m0/s1
InChIKeyKQHCKJRDCLPNKW-INIZCTEOSA-N
XLogP1.98
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3,5-dimethylpyrazol-1-yl)-1-[(2R)-2-pyrazin-2-ylmorpholin-4-yl]butan-1-one
CID 124983863
1-[(2R)-2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-4-(3,5-dimethylpyrazol-1-yl)butan-1-one
CID 124968411
3-(1,5-dimethylpyrazol-4-yl)-1-[(2S)-2-(4-methylpyrimidin-2-yl)morpholin-4-yl]propan-1-one
CID 125009198
1-[(2R)-2-(4-methylpyrimidin-2-yl)morpholin-4-yl]-3-thiophen-2-ylpropan-1-one
CID 124975891
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2R)-2-(4-methylpyrimidin-2-yl)morpholin-4-yl]ethanone
CID 125000690
2-(3,5-dimethylpyrazol-1-yl)-1-[(2S)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]ethanone
CID 124943524
1-[(2S)-2-(4-methylpyrimidin-2-yl)morpholin-4-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 124944644
1-[2-(4-methylpyrimidin-2-yl)morpholin-4-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 110115499
2-(2,4-dimethyl-1,3-thiazol-5-yl)-1-[2-(4-methylpyrimidin-2-yl)morpholin-4-yl]ethanone
CID 110115520
3-[methyl(pyridin-3-ylmethyl)amino]-1-[(2S)-2-(4-methylpyrimidin-2-yl)morpholin-4-yl]propan-1-one
CID 125007577
4-(3,5-dimethylpyrazol-1-yl)-1-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]butan-1-one
CID 127247107
2-(2-fluorophenoxy)-1-[2-(4-methylpyrimidin-2-yl)morpholin-4-yl]ethanone
CID 110115486

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-1-[(2S)-2-(4-methylpyrimidin-2-yl)morpholin-4-yl]butan-1-one?
The IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-1-[(2S)-2-(4-methylpyrimidin-2-yl)morpholin-4-yl]butan-1-one (CID 124974362) is 4-(3,5-dimethylpyrazol-1-yl)-1-[(2S)-2-(4-methylpyrimidin-2-yl)morpholin-4-yl]butan-1-one.
What is the SMILES notation for 4-(3,5-dimethylpyrazol-1-yl)-1-[(2S)-2-(4-methylpyrimidin-2-yl)morpholin-4-yl]butan-1-one?
The canonical SMILES for 4-(3,5-dimethylpyrazol-1-yl)-1-[(2S)-2-(4-methylpyrimidin-2-yl)morpholin-4-yl]butan-1-one is Cc1ccnc([C@@H]2CN(C(=O)CCCn3nc(C)cc3C)CCO2)n1.
What is the InChIKey of 4-(3,5-dimethylpyrazol-1-yl)-1-[(2S)-2-(4-methylpyrimidin-2-yl)morpholin-4-yl]butan-1-one?
The InChIKey is KQHCKJRDCLPNKW-INIZCTEOSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-13-6-7-19-18(20-13)16-12-22(9-10-25-16)17(24)5-4-8-23-15(3)11-14(2)21-23/h6-7,11,16H,4-5,8-10,12H2,1-3H3/t16-/m0/s1.
What are the key properties of 4-(3,5-dimethylpyrazol-1-yl)-1-[(2S)-2-(4-methylpyrimidin-2-yl)morpholin-4-yl]butan-1-one?
4-(3,5-dimethylpyrazol-1-yl)-1-[(2S)-2-(4-methylpyrimidin-2-yl)morpholin-4-yl]butan-1-one has a molecular weight of 343.43 g/mol, XLogP of 1.98, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpyrazol-1-yl)-1-[(2S)-2-(4-methylpyrimidin-2-yl)morpholin-4-yl]butan-1-one is sourced from PubChem (CID 124974362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).