1-benzyl-5-ethyl-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]pyrazole-4-carboxamide

C26H26N4O3 — CID 78873277

IUPAC1-benzyl-5-ethyl-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]pyrazole-4-carboxamide
SMILESCCc1c(C(=O)Nc2ccc(OC)c(OCc3ccncc3)c2)cnn1Cc1ccccc1
InChIInChI=1S/C26H26N4O3/c1-3-23-22(16-28-30(23)17-19-7-5-4-6-8-19)26(31)29-21-9-10-24(32-2)25(15-21)33-18-20-11-13-27-14-12-20/h4-16H,3,17-18H2,1-2H3,(H,29,31)
InChIKeyRBBMAHHPBGMDJY-UHFFFAOYSA-N
MW442.52 g/mol
LogP4.73
Rot. Bonds9

About 1-benzyl-5-ethyl-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]pyrazole-4-carboxamide

1-benzyl-5-ethyl-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]pyrazole-4-carboxamide (PubChem CID 78873277) has the molecular formula C26H26N4O3 and a molecular weight of 442.52 g/mol. Its IUPAC name is 1-benzyl-5-ethyl-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-5-ethyl-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]pyrazole-4-carboxamide
PubChem CID78873277
Molecular FormulaC26H26N4O3
Molecular Weight442.52 g/mol
Exact Mass442.20
IUPAC Name1-benzyl-5-ethyl-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]pyrazole-4-carboxamide
SMILESCCc1c(C(=O)Nc2ccc(OC)c(OCc3ccncc3)c2)cnn1Cc1ccccc1
InChIInChI=1S/C26H26N4O3/c1-3-23-22(16-28-30(23)17-19-7-5-4-6-8-19)26(31)29-21-9-10-24(32-2)25(15-21)33-18-20-11-13-27-14-12-20/h4-16H,3,17-18H2,1-2H3,(H,29,31)
InChIKeyRBBMAHHPBGMDJY-UHFFFAOYSA-N
XLogP4.73
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-benzyl-5-ethyl-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]pyrazole-4-carboxamide
CID 78873269
N-(3-acetamido-4-methoxyphenyl)-1-benzyl-5-ethylpyrazole-4-carboxamide
CID 78873610
methyl N-[4-[(1-benzyl-5-ethylpyrazole-4-carbonyl)amino]phenyl]carbamate
CID 78890376
1-benzyl-5-ethyl-N-(2-methoxyphenyl)pyrazole-4-carboxamide
CID 78874158
1-benzyl-N-[(3,4-dimethoxyphenyl)methyl]-5-ethylpyrazole-4-carboxamide
CID 78874236
(4-methoxy-3-phenylmethoxyphenyl)carbamic acid
CID 155170089
3,5-dichloro-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]benzamide
CID 46427791
1-benzyl-N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-5-ethylpyrazole-4-carboxamide
CID 78873511
2-chloro-5-(2,5-dimethylpyrrol-1-yl)-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]benzamide
CID 33126560
1-benzyl-N-[3-(difluoromethoxy)phenyl]-5-ethylpyrazole-4-carboxamide
CID 78889307
N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 33125978
N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-2-phenylbutanamide
CID 43068285

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-ethyl-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]pyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-5-ethyl-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]pyrazole-4-carboxamide (CID 78873277) is 1-benzyl-5-ethyl-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-5-ethyl-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-5-ethyl-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]pyrazole-4-carboxamide is CCc1c(C(=O)Nc2ccc(OC)c(OCc3ccncc3)c2)cnn1Cc1ccccc1.
What is the InChIKey of 1-benzyl-5-ethyl-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]pyrazole-4-carboxamide?
The InChIKey is RBBMAHHPBGMDJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O3/c1-3-23-22(16-28-30(23)17-19-7-5-4-6-8-19)26(31)29-21-9-10-24(32-2)25(15-21)33-18-20-11-13-27-14-12-20/h4-16H,3,17-18H2,1-2H3,(H,29,31).
What are the key properties of 1-benzyl-5-ethyl-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]pyrazole-4-carboxamide?
1-benzyl-5-ethyl-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]pyrazole-4-carboxamide has a molecular weight of 442.52 g/mol, XLogP of 4.73, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-ethyl-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 78873277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).