N-[2-(2-methoxyphenyl)ethyl]-1-phenylpyrazole-4-carboxamide

C19H19N3O2 — CID 27757113

IUPACN-[2-(2-methoxyphenyl)ethyl]-1-phenylpyrazole-4-carboxamide
SMILESCOc1ccccc1CCNC(=O)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C19H19N3O2/c1-24-18-10-6-5-7-15(18)11-12-20-19(23)16-13-21-22(14-16)17-8-3-2-4-9-17/h2-10,13-14H,11-12H2,1H3,(H,20,23)
InChIKeyVRZGQPQLFPJQKK-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.85
Rot. Bonds6

About N-[2-(2-methoxyphenyl)ethyl]-1-phenylpyrazole-4-carboxamide

N-[2-(2-methoxyphenyl)ethyl]-1-phenylpyrazole-4-carboxamide (PubChem CID 27757113) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is N-[2-(2-methoxyphenyl)ethyl]-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methoxyphenyl)ethyl]-1-phenylpyrazole-4-carboxamide
PubChem CID27757113
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC NameN-[2-(2-methoxyphenyl)ethyl]-1-phenylpyrazole-4-carboxamide
SMILESCOc1ccccc1CCNC(=O)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C19H19N3O2/c1-24-18-10-6-5-7-15(18)11-12-20-19(23)16-13-21-22(14-16)17-8-3-2-4-9-17/h2-10,13-14H,11-12H2,1H3,(H,20,23)
InChIKeyVRZGQPQLFPJQKK-UHFFFAOYSA-N
XLogP2.85
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-chlorophenyl)ethyl]-1-phenylpyrazole-4-carboxamide
CID 50772841
1-(4-chlorophenyl)-N-[(2-methoxyphenyl)methyl]pyrazole-4-carboxamide
CID 47046691
N-[2-(2-methoxyphenyl)ethyl]-4-methylbenzamide
CID 8911194
N-[2-(3,4-diethoxyphenyl)ethyl]-1-phenylpyrazole-4-carboxamide
CID 9372355
N-[2-(2-methoxy-5-methylphenyl)ethyl]-1-(4-nitrophenyl)pyrazole-4-carboxamide
CID 55756772
N-[3-[2-(2-methoxyphenyl)ethylamino]-3-oxopropyl]benzamide
CID 17427984
N-[(2S)-2-hydroxypropyl]-1-phenylpyrazole-4-carboxamide
CID 83030878
(2-methoxyphenyl) 1-phenylpyrazole-4-carboxylate
CID 46546914
N-[2-(2-fluorophenyl)ethyl]-4-methoxy-1-phenylpyrazole-3-carboxamide
CID 27847993
3-methoxy-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide
CID 134000530
4-benzamido-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 55534844
N-(4-bromopentyl)-1-phenylpyrazole-4-carboxamide
CID 106131314

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-1-phenylpyrazole-4-carboxamide (CID 27757113) is N-[2-(2-methoxyphenyl)ethyl]-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(2-methoxyphenyl)ethyl]-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-[2-(2-methoxyphenyl)ethyl]-1-phenylpyrazole-4-carboxamide is COc1ccccc1CCNC(=O)c1cnn(-c2ccccc2)c1.
What is the InChIKey of N-[2-(2-methoxyphenyl)ethyl]-1-phenylpyrazole-4-carboxamide?
The InChIKey is VRZGQPQLFPJQKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-24-18-10-6-5-7-15(18)11-12-20-19(23)16-13-21-22(14-16)17-8-3-2-4-9-17/h2-10,13-14H,11-12H2,1H3,(H,20,23).
What are the key properties of N-[2-(2-methoxyphenyl)ethyl]-1-phenylpyrazole-4-carboxamide?
N-[2-(2-methoxyphenyl)ethyl]-1-phenylpyrazole-4-carboxamide has a molecular weight of 321.38 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenyl)ethyl]-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 27757113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).