(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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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).