[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-(4-hydroxy-3-methyl-1H-pyrazol-5-yl)methanone

C14H19N5O3 — CID 137247350

IUPAC[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-(4-hydroxy-3-methyl-1H-pyrazol-5-yl)methanone
SMILESCc1n[nH]c(C(=O)N2CCOCC2c2c(C)n[nH]c2C)c1O
InChIInChI=1S/C14H19N5O3/c1-7-11(8(2)16-15-7)10-6-22-5-4-19(10)14(21)12-13(20)9(3)17-18-12/h10,20H,4-6H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyMOBPWNBZVQDUGA-UHFFFAOYSA-N
MW305.34 g/mol
LogP0.98
Rot. Bonds2

About [3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-(4-hydroxy-3-methyl-1H-pyrazol-5-yl)methanone

[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-(4-hydroxy-3-methyl-1H-pyrazol-5-yl)methanone (PubChem CID 137247350) has the molecular formula C14H19N5O3 and a molecular weight of 305.34 g/mol. Its IUPAC name is [3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-(4-hydroxy-3-methyl-1H-pyrazol-5-yl)methanone.

Molecular Properties

Compound Name[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-(4-hydroxy-3-methyl-1H-pyrazol-5-yl)methanone
PubChem CID137247350
Molecular FormulaC14H19N5O3
Molecular Weight305.34 g/mol
Exact Mass305.15
IUPAC Name[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-(4-hydroxy-3-methyl-1H-pyrazol-5-yl)methanone
SMILESCc1n[nH]c(C(=O)N2CCOCC2c2c(C)n[nH]c2C)c1O
InChIInChI=1S/C14H19N5O3/c1-7-11(8(2)16-15-7)10-6-22-5-4-19(10)14(21)12-13(20)9(3)17-18-12/h10,20H,4-6H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyMOBPWNBZVQDUGA-UHFFFAOYSA-N
XLogP0.98
TPSA107.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(4,5-dimethylfuran-2-yl)-[(3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]methanone
CID 97330769
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CID 97330753
[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-(4-methoxythiophen-2-yl)methanone
CID 75470371
[(3S)-3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-(1H-indol-2-yl)methanone
CID 97251880
[(3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-(1H-indol-2-yl)methanone
CID 97251879
[(3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-(1H-indol-7-yl)methanone
CID 97330778
1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-2-(4-fluorophenyl)ethanone
CID 75470386
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(4-fluorophenyl)morpholine-4-carboxamide
CID 75470343
(5-chloro-1H-indazol-3-yl)-[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]methanone
CID 167791061
1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-3-phenylpropan-1-one
CID 75470373
3-(1-acetylpiperidin-4-yl)-1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]propan-1-one
CID 136518981
(3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-4-propan-2-ylmorpholine
CID 125457640

Frequently Asked Questions

What is the IUPAC name of [3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-(4-hydroxy-3-methyl-1H-pyrazol-5-yl)methanone?
The IUPAC name of [3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-(4-hydroxy-3-methyl-1H-pyrazol-5-yl)methanone (CID 137247350) is [3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-(4-hydroxy-3-methyl-1H-pyrazol-5-yl)methanone.
What is the SMILES notation for [3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-(4-hydroxy-3-methyl-1H-pyrazol-5-yl)methanone?
The canonical SMILES for [3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-(4-hydroxy-3-methyl-1H-pyrazol-5-yl)methanone is Cc1n[nH]c(C(=O)N2CCOCC2c2c(C)n[nH]c2C)c1O.
What is the InChIKey of [3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-(4-hydroxy-3-methyl-1H-pyrazol-5-yl)methanone?
The InChIKey is MOBPWNBZVQDUGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O3/c1-7-11(8(2)16-15-7)10-6-22-5-4-19(10)14(21)12-13(20)9(3)17-18-12/h10,20H,4-6H2,1-3H3,(H,15,16)(H,17,18).
What are the key properties of [3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-(4-hydroxy-3-methyl-1H-pyrazol-5-yl)methanone?
[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-(4-hydroxy-3-methyl-1H-pyrazol-5-yl)methanone has a molecular weight of 305.34 g/mol, XLogP of 0.98, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-(4-hydroxy-3-methyl-1H-pyrazol-5-yl)methanone is sourced from PubChem (CID 137247350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).