N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-3-oxo-2-phenyl-1H-pyrazole-5-carboxamide

C17H19N5O3 — CID 91760742

IUPACN-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-3-oxo-2-phenyl-1H-pyrazole-5-carboxamide
SMILESCOCC(NC(=O)c1cc(=O)n(-c2ccccc2)[nH]1)c1ccnn1C
InChIInChI=1S/C17H19N5O3/c1-21-15(8-9-18-21)14(11-25-2)19-17(24)13-10-16(23)22(20-13)12-6-4-3-5-7-12/h3-10,14,20H,11H2,1-2H3,(H,19,24)
InChIKeyJCHCLUBHZYQWEW-UHFFFAOYSA-N
MW341.37 g/mol
LogP1.02
Rot. Bonds6

About N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-3-oxo-2-phenyl-1H-pyrazole-5-carboxamide

N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-3-oxo-2-phenyl-1H-pyrazole-5-carboxamide (PubChem CID 91760742) has the molecular formula C17H19N5O3 and a molecular weight of 341.37 g/mol. Its IUPAC name is N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-3-oxo-2-phenyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-3-oxo-2-phenyl-1H-pyrazole-5-carboxamide
PubChem CID91760742
Molecular FormulaC17H19N5O3
Molecular Weight341.37 g/mol
Exact Mass341.15
IUPAC NameN-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-3-oxo-2-phenyl-1H-pyrazole-5-carboxamide
SMILESCOCC(NC(=O)c1cc(=O)n(-c2ccccc2)[nH]1)c1ccnn1C
InChIInChI=1S/C17H19N5O3/c1-21-15(8-9-18-21)14(11-25-2)19-17(24)13-10-16(23)22(20-13)12-6-4-3-5-7-12/h3-10,14,20H,11H2,1-2H3,(H,19,24)
InChIKeyJCHCLUBHZYQWEW-UHFFFAOYSA-N
XLogP1.02
TPSA93.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1H-pyrazole-4-carboxamide
CID 99948395
3-(2-methylphenyl)-3-[(3-oxo-2-phenyl-1H-pyrazole-5-carbonyl)amino]propanoic acid
CID 78071828
N-ethyl-3-oxo-2-phenyl-1H-pyrazole-5-carboxamide
CID 54252922
3-(4-fluorophenyl)-3-[(3-oxo-2-phenyl-1H-pyrazole-5-carbonyl)amino]propanoic acid
CID 90094203
3-[(3-oxo-2-phenyl-1H-pyrazole-5-carbonyl)amino]-3-(4-phenoxyphenyl)propanoic acid
CID 71449893
3-(3-methylphenyl)-3-[(3-oxo-2-phenyl-1H-pyrazole-5-carbonyl)amino]propanoic acid
CID 90093939
N-[(1S)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-2-morpholin-4-ylbenzamide
CID 95144214
N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-4-naphthalen-1-yl-4-oxobutanamide
CID 135092129
2-ethylsulfanyl-N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]acetamide
CID 135104273
3-(3,5-difluorophenyl)-3-[(3-oxo-2-phenyl-1H-pyrazole-5-carbonyl)amino]propanoic acid
CID 90093608
N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-4-(1H-pyrazol-5-yl)benzamide
CID 95127513
N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1-methylindole-6-carboxamide
CID 97198905

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-3-oxo-2-phenyl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-3-oxo-2-phenyl-1H-pyrazole-5-carboxamide (CID 91760742) is N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-3-oxo-2-phenyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-3-oxo-2-phenyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-3-oxo-2-phenyl-1H-pyrazole-5-carboxamide is COCC(NC(=O)c1cc(=O)n(-c2ccccc2)[nH]1)c1ccnn1C.
What is the InChIKey of N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-3-oxo-2-phenyl-1H-pyrazole-5-carboxamide?
The InChIKey is JCHCLUBHZYQWEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3/c1-21-15(8-9-18-21)14(11-25-2)19-17(24)13-10-16(23)22(20-13)12-6-4-3-5-7-12/h3-10,14,20H,11H2,1-2H3,(H,19,24).
What are the key properties of N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-3-oxo-2-phenyl-1H-pyrazole-5-carboxamide?
N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-3-oxo-2-phenyl-1H-pyrazole-5-carboxamide has a molecular weight of 341.37 g/mol, XLogP of 1.02, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-3-oxo-2-phenyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 91760742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).