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

C16H23N5O2 — CID 97330753

IUPAC[(3S)-3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
SMILESCc1n[nH]c(C)c1[C@H]1COCCN1C(=O)c1cc(C(C)C)[nH]n1
InChIInChI=1S/C16H23N5O2/c1-9(2)12-7-13(20-19-12)16(22)21-5-6-23-8-14(21)15-10(3)17-18-11(15)4/h7,9,14H,5-6,8H2,1-4H3,(H,17,18)(H,19,20)/t14-/m1/s1
InChIKeyOSWZJRUIGVEBJC-CQSZACIVSA-N
MW317.39 g/mol
LogP2.09
Rot. Bonds3

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

[(3S)-3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone (PubChem CID 97330753) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is [(3S)-3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone.

Molecular Properties

Compound Name[(3S)-3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
PubChem CID97330753
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC Name[(3S)-3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
SMILESCc1n[nH]c(C)c1[C@H]1COCCN1C(=O)c1cc(C(C)C)[nH]n1
InChIInChI=1S/C16H23N5O2/c1-9(2)12-7-13(20-19-12)16(22)21-5-6-23-8-14(21)15-10(3)17-18-11(15)4/h7,9,14H,5-6,8H2,1-4H3,(H,17,18)(H,19,20)/t14-/m1/s1
InChIKeyOSWZJRUIGVEBJC-CQSZACIVSA-N
XLogP2.09
TPSA86.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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
[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-(4-hydroxy-3-methyl-1H-pyrazol-5-yl)methanone
CID 137247350
[3-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
CID 75474989
[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-(4-methoxythiophen-2-yl)methanone
CID 75470371
[(3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-(1H-indol-2-yl)methanone
CID 97251879
[(3S)-3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-(1H-indol-2-yl)methanone
CID 97251880
(5-chloro-1H-indazol-3-yl)-[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]methanone
CID 167791061
(3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-4-propan-2-ylmorpholine
CID 125457640
[(3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-(1H-indol-7-yl)methanone
CID 97330778
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(4-fluorophenyl)morpholine-4-carboxamide
CID 75470343
1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-2-(4-fluorophenyl)ethanone
CID 75470386
1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-2-(3-methylphenyl)ethanone
CID 75470410

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone?
The IUPAC name of [(3S)-3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone (CID 97330753) is [(3S)-3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone.
What is the SMILES notation for [(3S)-3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone?
The canonical SMILES for [(3S)-3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone is Cc1n[nH]c(C)c1[C@H]1COCCN1C(=O)c1cc(C(C)C)[nH]n1.
What is the InChIKey of [(3S)-3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone?
The InChIKey is OSWZJRUIGVEBJC-CQSZACIVSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-9(2)12-7-13(20-19-12)16(22)21-5-6-23-8-14(21)15-10(3)17-18-11(15)4/h7,9,14H,5-6,8H2,1-4H3,(H,17,18)(H,19,20)/t14-/m1/s1.
What are the key properties of [(3S)-3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone?
[(3S)-3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone has a molecular weight of 317.39 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone is sourced from PubChem (CID 97330753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).