(1-ethyl-3-propan-2-ylpyrazol-5-yl)-[(3R)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone

C17H25N5O2 — CID 124993027

IUPAC(1-ethyl-3-propan-2-ylpyrazol-5-yl)-[(3R)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone
SMILESCCn1nc(C(C)C)cc1C(=O)N1CCOC[C@H]1c1ncc(C)[nH]1
InChIInChI=1S/C17H25N5O2/c1-5-22-14(8-13(20-22)11(2)3)17(23)21-6-7-24-10-15(21)16-18-9-12(4)19-16/h8-9,11,15H,5-7,10H2,1-4H3,(H,18,19)/t15-/m0/s1
InChIKeyPUSIYSSIXDEOQB-HNNXBMFYSA-N
MW331.42 g/mol
LogP2.27
Rot. Bonds4

About (1-ethyl-3-propan-2-ylpyrazol-5-yl)-[(3R)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone

(1-ethyl-3-propan-2-ylpyrazol-5-yl)-[(3R)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone (PubChem CID 124993027) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is (1-ethyl-3-propan-2-ylpyrazol-5-yl)-[(3R)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(1-ethyl-3-propan-2-ylpyrazol-5-yl)-[(3R)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone
PubChem CID124993027
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC Name(1-ethyl-3-propan-2-ylpyrazol-5-yl)-[(3R)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone
SMILESCCn1nc(C(C)C)cc1C(=O)N1CCOC[C@H]1c1ncc(C)[nH]1
InChIInChI=1S/C17H25N5O2/c1-5-22-14(8-13(20-22)11(2)3)17(23)21-6-7-24-10-15(21)16-18-9-12(4)19-16/h8-9,11,15H,5-7,10H2,1-4H3,(H,18,19)/t15-/m0/s1
InChIKeyPUSIYSSIXDEOQB-HNNXBMFYSA-N
XLogP2.27
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 ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-(2-propan-2-ylpyrimidin-5-yl)methanone
CID 110105457
(3,5-difluorophenyl)-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone
CID 110105429
[(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-pyrimidin-5-ylmethanone
CID 125017180
(4-chloro-1-propylpyrazol-3-yl)-[(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone
CID 124995974
(4-chloro-1-propylpyrazol-3-yl)-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone
CID 110105543
6-[(3R)-3-(5-methyl-1H-imidazol-2-yl)morpholine-4-carbonyl]-1H-pyrimidine-2,4-dione
CID 125005017
[(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-(oxan-4-yl)methanone
CID 125016255
(3-cyclohexyl-1,2-oxazol-5-yl)-[(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone
CID 125012998
1-[2-[(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-2-oxoethyl]pyrimidin-2-one
CID 124946055
1-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one
CID 110105531
2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]ethanone
CID 110105409
3-[(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholine-4-carbonyl]-1,5,6,7-tetrahydrocyclopenta[b]pyridin-2-one
CID 124998854

Frequently Asked Questions

What is the IUPAC name of (1-ethyl-3-propan-2-ylpyrazol-5-yl)-[(3R)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone?
The IUPAC name of (1-ethyl-3-propan-2-ylpyrazol-5-yl)-[(3R)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone (CID 124993027) is (1-ethyl-3-propan-2-ylpyrazol-5-yl)-[(3R)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone.
What is the SMILES notation for (1-ethyl-3-propan-2-ylpyrazol-5-yl)-[(3R)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone?
The canonical SMILES for (1-ethyl-3-propan-2-ylpyrazol-5-yl)-[(3R)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone is CCn1nc(C(C)C)cc1C(=O)N1CCOC[C@H]1c1ncc(C)[nH]1.
What is the InChIKey of (1-ethyl-3-propan-2-ylpyrazol-5-yl)-[(3R)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone?
The InChIKey is PUSIYSSIXDEOQB-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-5-22-14(8-13(20-22)11(2)3)17(23)21-6-7-24-10-15(21)16-18-9-12(4)19-16/h8-9,11,15H,5-7,10H2,1-4H3,(H,18,19)/t15-/m0/s1.
What are the key properties of (1-ethyl-3-propan-2-ylpyrazol-5-yl)-[(3R)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone?
(1-ethyl-3-propan-2-ylpyrazol-5-yl)-[(3R)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone has a molecular weight of 331.42 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethyl-3-propan-2-ylpyrazol-5-yl)-[(3R)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone is sourced from PubChem (CID 124993027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).