4-methoxy-N-[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]-1-phenylpyrazole-3-carboxamide

C18H24N4O3 — CID 94173289

IUPAC4-methoxy-N-[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]-1-phenylpyrazole-3-carboxamide
SMILESCNC(=O)[C@H](CC(C)C)NC(=O)c1nn(-c2ccccc2)cc1OC
InChIInChI=1S/C18H24N4O3/c1-12(2)10-14(17(23)19-3)20-18(24)16-15(25-4)11-22(21-16)13-8-6-5-7-9-13/h5-9,11-12,14H,10H2,1-4H3,(H,19,23)(H,20,24)/t14-/m0/s1
InChIKeyIBGUBSVSUFADSS-AWEZNQCLSA-N
MW344.42 g/mol
LogP1.77
Rot. Bonds7

About 4-methoxy-N-[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]-1-phenylpyrazole-3-carboxamide

4-methoxy-N-[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]-1-phenylpyrazole-3-carboxamide (PubChem CID 94173289) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is 4-methoxy-N-[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]-1-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-methoxy-N-[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]-1-phenylpyrazole-3-carboxamide
PubChem CID94173289
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name4-methoxy-N-[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]-1-phenylpyrazole-3-carboxamide
SMILESCNC(=O)[C@H](CC(C)C)NC(=O)c1nn(-c2ccccc2)cc1OC
InChIInChI=1S/C18H24N4O3/c1-12(2)10-14(17(23)19-3)20-18(24)16-15(25-4)11-22(21-16)13-8-6-5-7-9-13/h5-9,11-12,14H,10H2,1-4H3,(H,19,23)(H,20,24)/t14-/m0/s1
InChIKeyIBGUBSVSUFADSS-AWEZNQCLSA-N
XLogP1.77
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-(6-methylheptan-2-yl)-1-phenylpyrazole-3-carboxamide
CID 46515773
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CID 51862939
4-methoxy-N-[2-(methylamino)propyl]-1-phenylpyrazole-3-carboxamide;hydrochloride
CID 120832216
4-methoxy-1-phenyl-N-[(1R)-1-thiophen-2-ylethyl]pyrazole-3-carboxamide
CID 40882617
[2-[[(1S)-3-methyl-1-phenylbutyl]amino]-2-oxoethyl] 4-methoxy-1-phenylpyrazole-3-carboxylate
CID 8725346
N-(4-butan-2-ylphenyl)-4-methoxy-1-phenylpyrazole-3-carboxamide
CID 16561064
4-methoxy-N-[(2S)-1-morpholin-4-ylpropan-2-yl]-1-phenylpyrazole-3-carboxamide
CID 94025955
4-methoxy-1-phenyl-N-pyridin-4-ylpyrazole-3-carboxamide
CID 17440224
N-[2-(2-fluorophenyl)ethyl]-4-methoxy-1-phenylpyrazole-3-carboxamide
CID 27847993
4-methoxy-1-phenyl-N-(2-propan-2-yloxyphenyl)pyrazole-3-carboxamide
CID 39498587
[(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl] 4-methoxy-1-phenylpyrazole-3-carboxylate
CID 7992073
N-(3,4-dimethylphenyl)-4-methoxy-1-phenylpyrazole-3-carboxamide
CID 7992464

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]-1-phenylpyrazole-3-carboxamide?
The IUPAC name of 4-methoxy-N-[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]-1-phenylpyrazole-3-carboxamide (CID 94173289) is 4-methoxy-N-[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]-1-phenylpyrazole-3-carboxamide.
What is the SMILES notation for 4-methoxy-N-[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]-1-phenylpyrazole-3-carboxamide?
The canonical SMILES for 4-methoxy-N-[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]-1-phenylpyrazole-3-carboxamide is CNC(=O)[C@H](CC(C)C)NC(=O)c1nn(-c2ccccc2)cc1OC.
What is the InChIKey of 4-methoxy-N-[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]-1-phenylpyrazole-3-carboxamide?
The InChIKey is IBGUBSVSUFADSS-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-12(2)10-14(17(23)19-3)20-18(24)16-15(25-4)11-22(21-16)13-8-6-5-7-9-13/h5-9,11-12,14H,10H2,1-4H3,(H,19,23)(H,20,24)/t14-/m0/s1.
What are the key properties of 4-methoxy-N-[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]-1-phenylpyrazole-3-carboxamide?
4-methoxy-N-[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]-1-phenylpyrazole-3-carboxamide has a molecular weight of 344.42 g/mol, XLogP of 1.77, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]-1-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 94173289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).