(5-propyl-1H-pyrazol-3-yl)-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]methanone

C17H25N5O2 — CID 75471278

IUPAC(5-propyl-1H-pyrazol-3-yl)-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]methanone
SMILESCCCc1cc(C(=O)N2CCOCC2c2c(C)nn(C)c2C)n[nH]1
InChIInChI=1S/C17H25N5O2/c1-5-6-13-9-14(19-18-13)17(23)22-7-8-24-10-15(22)16-11(2)20-21(4)12(16)3/h9,15H,5-8,10H2,1-4H3,(H,18,19)
InChIKeyHVHUCFNPDXCWRG-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.93
Rot. Bonds4

About (5-propyl-1H-pyrazol-3-yl)-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]methanone

(5-propyl-1H-pyrazol-3-yl)-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]methanone (PubChem CID 75471278) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is (5-propyl-1H-pyrazol-3-yl)-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(5-propyl-1H-pyrazol-3-yl)-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]methanone
PubChem CID75471278
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC Name(5-propyl-1H-pyrazol-3-yl)-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]methanone
SMILESCCCc1cc(C(=O)N2CCOCC2c2c(C)nn(C)c2C)n[nH]1
InChIInChI=1S/C17H25N5O2/c1-5-6-13-9-14(19-18-13)17(23)22-7-8-24-10-15(22)16-11(2)20-21(4)12(16)3/h9,15H,5-8,10H2,1-4H3,(H,18,19)
InChIKeyHVHUCFNPDXCWRG-UHFFFAOYSA-N
XLogP1.93
TPSA76.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2-methylphenyl)-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]methanone
CID 75471264
(2,3-difluorophenyl)-[(3S)-3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]methanone
CID 97332849
1H-indol-2-yl-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]methanone
CID 75471254
1H-indazol-7-yl-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]methanone
CID 75471350
cyclohexyl-[(3S)-3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]methanone
CID 97256154
2-phenoxy-1-[(3S)-3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]ethanone
CID 97256182
3-amino-1-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]butan-1-one
CID 120874001
4-(5-ethyl-1H-pyrazole-3-carbonyl)morpholine-3-carboxylic acid
CID 119216376
2-[3-(1,3,5-trimethylpyrazol-4-yl)morpholine-4-carbonyl]cyclopropane-1-carboxylic acid
CID 120552577
(2R)-2-amino-1-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]propan-1-one;hydrochloride
CID 120874002
[(3S)-3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
CID 97330753
(1,5-dimethylpyrazol-3-yl)-[(3R)-3-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]morpholin-4-yl]methanone
CID 97343134

Frequently Asked Questions

What is the IUPAC name of (5-propyl-1H-pyrazol-3-yl)-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]methanone?
The IUPAC name of (5-propyl-1H-pyrazol-3-yl)-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]methanone (CID 75471278) is (5-propyl-1H-pyrazol-3-yl)-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]methanone.
What is the SMILES notation for (5-propyl-1H-pyrazol-3-yl)-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]methanone?
The canonical SMILES for (5-propyl-1H-pyrazol-3-yl)-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]methanone is CCCc1cc(C(=O)N2CCOCC2c2c(C)nn(C)c2C)n[nH]1.
What is the InChIKey of (5-propyl-1H-pyrazol-3-yl)-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]methanone?
The InChIKey is HVHUCFNPDXCWRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-5-6-13-9-14(19-18-13)17(23)22-7-8-24-10-15(22)16-11(2)20-21(4)12(16)3/h9,15H,5-8,10H2,1-4H3,(H,18,19).
What are the key properties of (5-propyl-1H-pyrazol-3-yl)-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]methanone?
(5-propyl-1H-pyrazol-3-yl)-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]methanone has a molecular weight of 331.42 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-propyl-1H-pyrazol-3-yl)-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]methanone is sourced from PubChem (CID 75471278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).