4-methoxy-N-[(2S)-5-methylhexan-2-yl]-1-phenylpyrazole-3-carboxamide

C18H25N3O2 — CID 51862939

IUPAC4-methoxy-N-[(2S)-5-methylhexan-2-yl]-1-phenylpyrazole-3-carboxamide
SMILESCOc1cn(-c2ccccc2)nc1C(=O)N[C@@H](C)CCC(C)C
InChIInChI=1S/C18H25N3O2/c1-13(2)10-11-14(3)19-18(22)17-16(23-4)12-21(20-17)15-8-6-5-7-9-15/h5-9,12-14H,10-11H2,1-4H3,(H,19,22)/t14-/m0/s1
InChIKeyJZECQQWMKYMBAU-AWEZNQCLSA-N
MW315.42 g/mol
LogP3.44
Rot. Bonds7

About 4-methoxy-N-[(2S)-5-methylhexan-2-yl]-1-phenylpyrazole-3-carboxamide

4-methoxy-N-[(2S)-5-methylhexan-2-yl]-1-phenylpyrazole-3-carboxamide (PubChem CID 51862939) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 4-methoxy-N-[(2S)-5-methylhexan-2-yl]-1-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-methoxy-N-[(2S)-5-methylhexan-2-yl]-1-phenylpyrazole-3-carboxamide
PubChem CID51862939
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name4-methoxy-N-[(2S)-5-methylhexan-2-yl]-1-phenylpyrazole-3-carboxamide
SMILESCOc1cn(-c2ccccc2)nc1C(=O)N[C@@H](C)CCC(C)C
InChIInChI=1S/C18H25N3O2/c1-13(2)10-11-14(3)19-18(22)17-16(23-4)12-21(20-17)15-8-6-5-7-9-15/h5-9,12-14H,10-11H2,1-4H3,(H,19,22)/t14-/m0/s1
InChIKeyJZECQQWMKYMBAU-AWEZNQCLSA-N
XLogP3.44
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 46515773
4-methoxy-N-[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]-1-phenylpyrazole-3-carboxamide
CID 94173289
4-methoxy-N-[2-(methylamino)propyl]-1-phenylpyrazole-3-carboxamide;hydrochloride
CID 120832216
4-methoxy-N-[(2S)-1-morpholin-4-ylpropan-2-yl]-1-phenylpyrazole-3-carboxamide
CID 94025955
4-methoxy-1-phenyl-N-[(1R)-1-thiophen-2-ylethyl]pyrazole-3-carboxamide
CID 40882617
[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 4-methoxy-1-phenylpyrazole-3-carboxylate
CID 7992134
4-methoxy-1-phenyl-N-(2-propan-2-yloxyphenyl)pyrazole-3-carboxamide
CID 39498587
N-(4-butan-2-ylphenyl)-4-methoxy-1-phenylpyrazole-3-carboxamide
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5-[(4-methoxy-1-phenylpyrazole-3-carbonyl)amino]pentanoic acid
CID 119234819
4-methoxy-1-phenyl-N-[(1-phenylpyrrolidin-3-yl)methyl]pyrazole-3-carboxamide
CID 55621665
[2-[[(1S)-3-methyl-1-phenylbutyl]amino]-2-oxoethyl] 4-methoxy-1-phenylpyrazole-3-carboxylate
CID 8725346
phenacyl 4-methoxy-1-phenylpyrazole-3-carboxylate
CID 7992049

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(2S)-5-methylhexan-2-yl]-1-phenylpyrazole-3-carboxamide?
The IUPAC name of 4-methoxy-N-[(2S)-5-methylhexan-2-yl]-1-phenylpyrazole-3-carboxamide (CID 51862939) is 4-methoxy-N-[(2S)-5-methylhexan-2-yl]-1-phenylpyrazole-3-carboxamide.
What is the SMILES notation for 4-methoxy-N-[(2S)-5-methylhexan-2-yl]-1-phenylpyrazole-3-carboxamide?
The canonical SMILES for 4-methoxy-N-[(2S)-5-methylhexan-2-yl]-1-phenylpyrazole-3-carboxamide is COc1cn(-c2ccccc2)nc1C(=O)N[C@@H](C)CCC(C)C.
What is the InChIKey of 4-methoxy-N-[(2S)-5-methylhexan-2-yl]-1-phenylpyrazole-3-carboxamide?
The InChIKey is JZECQQWMKYMBAU-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-13(2)10-11-14(3)19-18(22)17-16(23-4)12-21(20-17)15-8-6-5-7-9-15/h5-9,12-14H,10-11H2,1-4H3,(H,19,22)/t14-/m0/s1.
What are the key properties of 4-methoxy-N-[(2S)-5-methylhexan-2-yl]-1-phenylpyrazole-3-carboxamide?
4-methoxy-N-[(2S)-5-methylhexan-2-yl]-1-phenylpyrazole-3-carboxamide has a molecular weight of 315.42 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(2S)-5-methylhexan-2-yl]-1-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 51862939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).