N-[3-(2-phenylethoxy)phenyl]-1-propan-2-ylpyrazole-3-carboxamide

C21H23N3O2 — CID 86944397

IUPACN-[3-(2-phenylethoxy)phenyl]-1-propan-2-ylpyrazole-3-carboxamide
SMILESCC(C)n1ccc(C(=O)Nc2cccc(OCCc3ccccc3)c2)n1
InChIInChI=1S/C21H23N3O2/c1-16(2)24-13-11-20(23-24)21(25)22-18-9-6-10-19(15-18)26-14-12-17-7-4-3-5-8-17/h3-11,13,15-16H,12,14H2,1-2H3,(H,22,25)
InChIKeyKQYDAVDWGGREGB-UHFFFAOYSA-N
MW349.43 g/mol
LogP4.34
Rot. Bonds7

About N-[3-(2-phenylethoxy)phenyl]-1-propan-2-ylpyrazole-3-carboxamide

N-[3-(2-phenylethoxy)phenyl]-1-propan-2-ylpyrazole-3-carboxamide (PubChem CID 86944397) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is N-[3-(2-phenylethoxy)phenyl]-1-propan-2-ylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-(2-phenylethoxy)phenyl]-1-propan-2-ylpyrazole-3-carboxamide
PubChem CID86944397
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC NameN-[3-(2-phenylethoxy)phenyl]-1-propan-2-ylpyrazole-3-carboxamide
SMILESCC(C)n1ccc(C(=O)Nc2cccc(OCCc3ccccc3)c2)n1
InChIInChI=1S/C21H23N3O2/c1-16(2)24-13-11-20(23-24)21(25)22-18-9-6-10-19(15-18)26-14-12-17-7-4-3-5-8-17/h3-11,13,15-16H,12,14H2,1-2H3,(H,22,25)
InChIKeyKQYDAVDWGGREGB-UHFFFAOYSA-N
XLogP4.34
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(3-methylbutoxy)phenyl]-3-(2-phenylethoxy)benzamide
CID 17134436
3-[[3-(2-phenylethoxy)benzoyl]amino]-N-propan-2-ylbenzamide
CID 17197538
methyl 3-oxo-3-[3-(2-phenylethoxy)anilino]propanoate
CID 28638067
2-(2-phenylethoxy)-N-[3-(2-phenylethoxy)phenyl]benzamide
CID 17142269
2-(3-methylbutoxy)-N-[3-(2-phenylethoxy)phenyl]benzamide
CID 17142197
N-[3-(2-methoxyethoxy)phenyl]-4-(2-phenylethoxy)benzamide
CID 17169886
N-[[3-(2-phenylethoxy)phenyl]carbamothioyl]-3-propan-2-yloxybenzamide
CID 17142390
2-(2-phenylethoxy)-N-(3-propan-2-yloxyphenyl)benzamide
CID 17154818
4-chloro-N-[3-(2-phenylethoxy)phenyl]butanamide
CID 17161027
3-(2-methylpropoxy)-N-[4-(2-phenylethoxy)phenyl]benzamide
CID 17140363
N-(3-nitrophenyl)-3-(2-phenylethoxy)benzamide
CID 17134273
N-[3-(3-phenylpropoxy)phenyl]pyridine-4-carboxamide
CID 17133255

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-phenylethoxy)phenyl]-1-propan-2-ylpyrazole-3-carboxamide?
The IUPAC name of N-[3-(2-phenylethoxy)phenyl]-1-propan-2-ylpyrazole-3-carboxamide (CID 86944397) is N-[3-(2-phenylethoxy)phenyl]-1-propan-2-ylpyrazole-3-carboxamide.
What is the SMILES notation for N-[3-(2-phenylethoxy)phenyl]-1-propan-2-ylpyrazole-3-carboxamide?
The canonical SMILES for N-[3-(2-phenylethoxy)phenyl]-1-propan-2-ylpyrazole-3-carboxamide is CC(C)n1ccc(C(=O)Nc2cccc(OCCc3ccccc3)c2)n1.
What is the InChIKey of N-[3-(2-phenylethoxy)phenyl]-1-propan-2-ylpyrazole-3-carboxamide?
The InChIKey is KQYDAVDWGGREGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-16(2)24-13-11-20(23-24)21(25)22-18-9-6-10-19(15-18)26-14-12-17-7-4-3-5-8-17/h3-11,13,15-16H,12,14H2,1-2H3,(H,22,25).
What are the key properties of N-[3-(2-phenylethoxy)phenyl]-1-propan-2-ylpyrazole-3-carboxamide?
N-[3-(2-phenylethoxy)phenyl]-1-propan-2-ylpyrazole-3-carboxamide has a molecular weight of 349.43 g/mol, XLogP of 4.34, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-phenylethoxy)phenyl]-1-propan-2-ylpyrazole-3-carboxamide is sourced from PubChem (CID 86944397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).