(9aS)-N-(5-methyl-1-phenylpyrazol-4-yl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine-8-carboxamide

C18H23N5O2 — CID 124885834

IUPAC(9aS)-N-(5-methyl-1-phenylpyrazol-4-yl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine-8-carboxamide
SMILESCc1c(NC(=O)N2CCN3CCOC[C@@H]3C2)cnn1-c1ccccc1
InChIInChI=1S/C18H23N5O2/c1-14-17(11-19-23(14)15-5-3-2-4-6-15)20-18(24)22-8-7-21-9-10-25-13-16(21)12-22/h2-6,11,16H,7-10,12-13H2,1H3,(H,20,24)/t16-/m0/s1
InChIKeyBGFOUNUBEMTCGE-INIZCTEOSA-N
MW341.41 g/mol
LogP1.73
Rot. Bonds2

About (9aS)-N-(5-methyl-1-phenylpyrazol-4-yl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine-8-carboxamide

(9aS)-N-(5-methyl-1-phenylpyrazol-4-yl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine-8-carboxamide (PubChem CID 124885834) has the molecular formula C18H23N5O2 and a molecular weight of 341.41 g/mol. Its IUPAC name is (9aS)-N-(5-methyl-1-phenylpyrazol-4-yl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine-8-carboxamide.

Molecular Properties

Compound Name(9aS)-N-(5-methyl-1-phenylpyrazol-4-yl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine-8-carboxamide
PubChem CID124885834
Molecular FormulaC18H23N5O2
Molecular Weight341.41 g/mol
Exact Mass341.19
IUPAC Name(9aS)-N-(5-methyl-1-phenylpyrazol-4-yl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine-8-carboxamide
SMILESCc1c(NC(=O)N2CCN3CCOC[C@@H]3C2)cnn1-c1ccccc1
InChIInChI=1S/C18H23N5O2/c1-14-17(11-19-23(14)15-5-3-2-4-6-15)20-18(24)22-8-7-21-9-10-25-13-16(21)12-22/h2-6,11,16H,7-10,12-13H2,1H3,(H,20,24)/t16-/m0/s1
InChIKeyBGFOUNUBEMTCGE-INIZCTEOSA-N
XLogP1.73
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (9aS)-N-(5-methyl-1-phenylpyrazol-4-yl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine-8-carboxamide with MolForge

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Related Compounds

1-[(5-methyl-1-phenylpyrazol-4-yl)carbamoyl]piperidine-4-carboxylic acid
CID 122087339
4-amino-N-(5-methyl-1-phenylpyrazol-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
CID 128753643
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-morpholin-4-ylpiperidine-1-carboxamide
CID 45237197
3-fluoro-N-(5-methyl-1-phenylpyrazol-4-yl)-4-morpholin-4-ylbenzamide
CID 99697779
N-[5-(difluoromethyl)-1-phenylpyrazol-4-yl]-1-(oxolan-3-yl)azetidine-3-carboxamide
CID 138055085
(9aS)-N-[3-(propan-2-yloxymethyl)phenyl]-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine-8-carboxamide
CID 124888522
N-(5-methyl-1-phenylpyrazol-4-yl)pyridine-4-carboxamide
CID 11242907
(5-methyl-1-phenylpyrazol-4-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120995115
1-(5-methyl-1-phenylpyrazol-4-yl)-3-[(5S)-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]urea
CID 99703347
3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl-[1-(3-methylphenyl)benzimidazol-5-yl]methanone
CID 136553770
N-(1-phenyl-2-pyridin-2-ylethyl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine-8-carboxamide
CID 127929790
N-(4-ethoxyphenyl)-4-(5-methyl-1-phenylpyrazol-4-yl)sulfonyl-3-(morpholine-4-carbonyl)piperazine-1-carboxamide
CID 134085242

Frequently Asked Questions

What is the IUPAC name of (9aS)-N-(5-methyl-1-phenylpyrazol-4-yl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine-8-carboxamide?
The IUPAC name of (9aS)-N-(5-methyl-1-phenylpyrazol-4-yl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine-8-carboxamide (CID 124885834) is (9aS)-N-(5-methyl-1-phenylpyrazol-4-yl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine-8-carboxamide.
What is the SMILES notation for (9aS)-N-(5-methyl-1-phenylpyrazol-4-yl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine-8-carboxamide?
The canonical SMILES for (9aS)-N-(5-methyl-1-phenylpyrazol-4-yl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine-8-carboxamide is Cc1c(NC(=O)N2CCN3CCOC[C@@H]3C2)cnn1-c1ccccc1.
What is the InChIKey of (9aS)-N-(5-methyl-1-phenylpyrazol-4-yl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine-8-carboxamide?
The InChIKey is BGFOUNUBEMTCGE-INIZCTEOSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-14-17(11-19-23(14)15-5-3-2-4-6-15)20-18(24)22-8-7-21-9-10-25-13-16(21)12-22/h2-6,11,16H,7-10,12-13H2,1H3,(H,20,24)/t16-/m0/s1.
What are the key properties of (9aS)-N-(5-methyl-1-phenylpyrazol-4-yl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine-8-carboxamide?
(9aS)-N-(5-methyl-1-phenylpyrazol-4-yl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine-8-carboxamide has a molecular weight of 341.41 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (9aS)-N-(5-methyl-1-phenylpyrazol-4-yl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine-8-carboxamide is sourced from PubChem (CID 124885834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).