3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[(2S)-2-(naphthalen-1-ylmethyl)morpholin-4-yl]propan-1-one

C23H27N3O2 — CID 25287005

IUPAC3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[(2S)-2-(naphthalen-1-ylmethyl)morpholin-4-yl]propan-1-one
SMILESCc1[nH]nc(CCC(=O)N2CCO[C@@H](Cc3cccc4ccccc34)C2)c1C
InChIInChI=1S/C23H27N3O2/c1-16-17(2)24-25-22(16)10-11-23(27)26-12-13-28-20(15-26)14-19-8-5-7-18-6-3-4-9-21(18)19/h3-9,20H,10-15H2,1-2H3,(H,24,25)/t20-/m0/s1
InChIKeyFVQAKZCKOUKVNN-FQEVSTJZSA-N
MW377.49 g/mol
LogP3.58
Rot. Bonds5

About 3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[(2S)-2-(naphthalen-1-ylmethyl)morpholin-4-yl]propan-1-one

3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[(2S)-2-(naphthalen-1-ylmethyl)morpholin-4-yl]propan-1-one (PubChem CID 25287005) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[(2S)-2-(naphthalen-1-ylmethyl)morpholin-4-yl]propan-1-one.

Molecular Properties

Compound Name3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[(2S)-2-(naphthalen-1-ylmethyl)morpholin-4-yl]propan-1-one
PubChem CID25287005
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[(2S)-2-(naphthalen-1-ylmethyl)morpholin-4-yl]propan-1-one
SMILESCc1[nH]nc(CCC(=O)N2CCO[C@@H](Cc3cccc4ccccc34)C2)c1C
InChIInChI=1S/C23H27N3O2/c1-16-17(2)24-25-22(16)10-11-23(27)26-12-13-28-20(15-26)14-19-8-5-7-18-6-3-4-9-21(18)19/h3-9,20H,10-15H2,1-2H3,(H,24,25)/t20-/m0/s1
InChIKeyFVQAKZCKOUKVNN-FQEVSTJZSA-N
XLogP3.58
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]propan-1-one
CID 45209998
1-[(2S)-2-(naphthalen-1-ylmethyl)morpholin-4-yl]-3-pyrazin-2-ylpropan-1-one
CID 25460624
(3S,4R)-1-[3-(4,5-dimethyl-1H-pyrazol-3-yl)propanoyl]-4-(2-methylphenyl)pyrrolidine-3-carboxylic acid
CID 70776574
3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[2-(2-phenylethyl)morpholin-4-yl]propan-1-one
CID 86790075
3-[2-[2-(naphthalen-1-ylmethyl)morpholin-4-yl]-2-oxoethyl]oxadiazol-3-ium-5-olate
CID 45167868
3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[3-(4-fluorophenyl)pyrrolidin-1-yl]propan-1-one
CID 91833490
4-[(3-methyl-2-pyridinyl)methyl]-2-(naphthalen-1-ylmethyl)morpholine
CID 56877258
(5-methoxyfuran-2-yl)-[2-(naphthalen-1-ylmethyl)morpholin-4-yl]methanone
CID 45245517
1-[(2R)-2-benzylmorpholin-4-yl]-3-(2-fluorophenyl)propan-1-one
CID 42462570
6-methyl-5-[[(2S)-2-(naphthalen-1-ylmethyl)morpholin-4-yl]methyl]-1H-pyrimidine-2,4-dione
CID 95549014
3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(2-phenylmorpholin-4-yl)propan-1-one
CID 71700852
[2-(naphthalen-1-ylmethyl)morpholin-4-yl]-[5-(tetrazol-1-yl)-1H-pyrazol-4-yl]methanone
CID 45210321

Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[(2S)-2-(naphthalen-1-ylmethyl)morpholin-4-yl]propan-1-one?
The IUPAC name of 3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[(2S)-2-(naphthalen-1-ylmethyl)morpholin-4-yl]propan-1-one (CID 25287005) is 3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[(2S)-2-(naphthalen-1-ylmethyl)morpholin-4-yl]propan-1-one.
What is the SMILES notation for 3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[(2S)-2-(naphthalen-1-ylmethyl)morpholin-4-yl]propan-1-one?
The canonical SMILES for 3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[(2S)-2-(naphthalen-1-ylmethyl)morpholin-4-yl]propan-1-one is Cc1[nH]nc(CCC(=O)N2CCO[C@@H](Cc3cccc4ccccc34)C2)c1C.
What is the InChIKey of 3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[(2S)-2-(naphthalen-1-ylmethyl)morpholin-4-yl]propan-1-one?
The InChIKey is FVQAKZCKOUKVNN-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-16-17(2)24-25-22(16)10-11-23(27)26-12-13-28-20(15-26)14-19-8-5-7-18-6-3-4-9-21(18)19/h3-9,20H,10-15H2,1-2H3,(H,24,25)/t20-/m0/s1.
What are the key properties of 3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[(2S)-2-(naphthalen-1-ylmethyl)morpholin-4-yl]propan-1-one?
3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[(2S)-2-(naphthalen-1-ylmethyl)morpholin-4-yl]propan-1-one has a molecular weight of 377.49 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[(2S)-2-(naphthalen-1-ylmethyl)morpholin-4-yl]propan-1-one is sourced from PubChem (CID 25287005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).