(3S)-N-(3-cyanophenyl)-3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholine-4-carboxamide

C17H19N5O2 — CID 97330611

IUPAC(3S)-N-(3-cyanophenyl)-3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholine-4-carboxamide
SMILESCc1n[nH]c(C)c1[C@H]1COCCN1C(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C17H19N5O2/c1-11-16(12(2)21-20-11)15-10-24-7-6-22(15)17(23)19-14-5-3-4-13(8-14)9-18/h3-5,8,15H,6-7,10H2,1-2H3,(H,19,23)(H,20,21)/t15-/m1/s1
InChIKeyJRQCFNYTISWIHE-OAHLLOKOSA-N
MW325.37 g/mol
LogP2.50
Rot. Bonds2

About (3S)-N-(3-cyanophenyl)-3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholine-4-carboxamide

(3S)-N-(3-cyanophenyl)-3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholine-4-carboxamide (PubChem CID 97330611) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is (3S)-N-(3-cyanophenyl)-3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholine-4-carboxamide.

Molecular Properties

Compound Name(3S)-N-(3-cyanophenyl)-3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholine-4-carboxamide
PubChem CID97330611
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name(3S)-N-(3-cyanophenyl)-3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholine-4-carboxamide
SMILESCc1n[nH]c(C)c1[C@H]1COCCN1C(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C17H19N5O2/c1-11-16(12(2)21-20-11)15-10-24-7-6-22(15)17(23)19-14-5-3-4-13(8-14)9-18/h3-5,8,15H,6-7,10H2,1-2H3,(H,19,23)(H,20,21)/t15-/m1/s1
InChIKeyJRQCFNYTISWIHE-OAHLLOKOSA-N
XLogP2.50
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(4-fluorophenyl)morpholine-4-carboxamide
CID 75470343
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[6-(trifluoromethyl)-3-pyridinyl]morpholine-4-carboxamide
CID 136589589
3-cyano-N-(3-methylphenyl)morpholine-4-carboxamide
CID 110190200
1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-2-(3-methylphenyl)ethanone
CID 75470410
(4,5-dimethylfuran-2-yl)-[(3R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]methanone
CID 97330769
1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-3-phenylpropan-1-one
CID 75470373
[(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
[(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
1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-3-(2-methylphenyl)propan-1-one
CID 75470411
[3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholin-4-yl]-(4-hydroxy-3-methyl-1H-pyrazol-5-yl)methanone
CID 137247350

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(3-cyanophenyl)-3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholine-4-carboxamide?
The IUPAC name of (3S)-N-(3-cyanophenyl)-3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholine-4-carboxamide (CID 97330611) is (3S)-N-(3-cyanophenyl)-3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholine-4-carboxamide.
What is the SMILES notation for (3S)-N-(3-cyanophenyl)-3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholine-4-carboxamide?
The canonical SMILES for (3S)-N-(3-cyanophenyl)-3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholine-4-carboxamide is Cc1n[nH]c(C)c1[C@H]1COCCN1C(=O)Nc1cccc(C#N)c1.
What is the InChIKey of (3S)-N-(3-cyanophenyl)-3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholine-4-carboxamide?
The InChIKey is JRQCFNYTISWIHE-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-11-16(12(2)21-20-11)15-10-24-7-6-22(15)17(23)19-14-5-3-4-13(8-14)9-18/h3-5,8,15H,6-7,10H2,1-2H3,(H,19,23)(H,20,21)/t15-/m1/s1.
What are the key properties of (3S)-N-(3-cyanophenyl)-3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholine-4-carboxamide?
(3S)-N-(3-cyanophenyl)-3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholine-4-carboxamide has a molecular weight of 325.37 g/mol, XLogP of 2.50, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(3-cyanophenyl)-3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholine-4-carboxamide is sourced from PubChem (CID 97330611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).