N-[[(2R)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]-N,1,5-trimethylpyrazole-4-carboxamide

C18H24N4O2 — CID 94018337

IUPACN-[[(2R)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]-N,1,5-trimethylpyrazole-4-carboxamide
SMILESCCN1C[C@H](CN(C)C(=O)c2cnn(C)c2C)Oc2ccccc21
InChIInChI=1S/C18H24N4O2/c1-5-22-12-14(24-17-9-7-6-8-16(17)22)11-20(3)18(23)15-10-19-21(4)13(15)2/h6-10,14H,5,11-12H2,1-4H3/t14-/m0/s1
InChIKeyPAUQPXAEQSVZGW-AWEZNQCLSA-N
MW328.42 g/mol
LogP2.09
Rot. Bonds4

About N-[[(2R)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]-N,1,5-trimethylpyrazole-4-carboxamide

N-[[(2R)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]-N,1,5-trimethylpyrazole-4-carboxamide (PubChem CID 94018337) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is N-[[(2R)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]-N,1,5-trimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[[(2R)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]-N,1,5-trimethylpyrazole-4-carboxamide
PubChem CID94018337
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC NameN-[[(2R)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]-N,1,5-trimethylpyrazole-4-carboxamide
SMILESCCN1C[C@H](CN(C)C(=O)c2cnn(C)c2C)Oc2ccccc21
InChIInChI=1S/C18H24N4O2/c1-5-22-12-14(24-17-9-7-6-8-16(17)22)11-20(3)18(23)15-10-19-21(4)13(15)2/h6-10,14H,5,11-12H2,1-4H3/t14-/m0/s1
InChIKeyPAUQPXAEQSVZGW-AWEZNQCLSA-N
XLogP2.09
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(4-fluorophenyl)piperazino][1-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]methanone
CID 2812819
(3S)-3-(2-benzyl-4-oxo-6,7-dihydropyrazolo[4,3-c]pyridin-5-yl)-5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one
CID 135308904
[4-(2-methoxyphenyl)piperazino](1-phenyl-5-propyl-1H-pyrazol-4-yl)methanone
CID 2811414
tert-butyl 4-(1-(tert-butyl)-4-{[4-(2-methoxyphenyl)piperazino]carbonyl}-1H-pyrazol-5-yl)tetrahydro-1(2H)-pyridinecarboxylate
CID 16023747
N-(2-methoxyethyl)-N-(6-methoxy-3-pyridinyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 46883831
1-(2-methoxyphenyl)-N-(2-methyl-2-morpholin-4-ylpropyl)-3-phenylpyrazole-4-carboxamide
CID 162658712
1-(2-ethylphenyl)-N-(2-methoxyphenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 1235418
1,5-dimethyl-N-(4-phenoxyphenyl)-1H-pyrazole-4-carboxamide
CID 16614321
Enerisant
CID 42601503
Tert-butyl 4-[1-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)-1H-pyrazol-5-YL]piperidine-1-carboxylate
CID 16024159
N-[2-(cyclohexylamino)-2-oxoethyl]-N-(2-methoxyphenyl)-1-propan-2-ylpyrazole-4-carboxamide
CID 650559
7-Fluoro-6-(4-oxo-6-propylpyrazolo[3,4-d]triazin-3-yl)-4-prop-2-enyl-1,4-benzoxazin-3-one
CID 25139162

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]-N,1,5-trimethylpyrazole-4-carboxamide?
The IUPAC name of N-[[(2R)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]-N,1,5-trimethylpyrazole-4-carboxamide (CID 94018337) is N-[[(2R)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]-N,1,5-trimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-[[(2R)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]-N,1,5-trimethylpyrazole-4-carboxamide?
The canonical SMILES for N-[[(2R)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]-N,1,5-trimethylpyrazole-4-carboxamide is CCN1C[C@H](CN(C)C(=O)c2cnn(C)c2C)Oc2ccccc21.
What is the InChIKey of N-[[(2R)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]-N,1,5-trimethylpyrazole-4-carboxamide?
The InChIKey is PAUQPXAEQSVZGW-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-5-22-12-14(24-17-9-7-6-8-16(17)22)11-20(3)18(23)15-10-19-21(4)13(15)2/h6-10,14H,5,11-12H2,1-4H3/t14-/m0/s1.
What are the key properties of N-[[(2R)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]-N,1,5-trimethylpyrazole-4-carboxamide?
N-[[(2R)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]-N,1,5-trimethylpyrazole-4-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 2.09, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]-N,1,5-trimethylpyrazole-4-carboxamide is sourced from PubChem (CID 94018337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).