N-[[5-(2,4-difluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]-3-methoxy-N-propan-2-ylbenzamide

C28H27F2N3O3 — CID 51068945

IUPACN-[[5-(2,4-difluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]-3-methoxy-N-propan-2-ylbenzamide
SMILESCOc1cccc(C(=O)N(Cc2c(C)nn(-c3ccccc3)c2Oc2ccc(F)cc2F)C(C)C)c1
InChIInChI=1S/C28H27F2N3O3/c1-18(2)32(27(34)20-9-8-12-23(15-20)35-4)17-24-19(3)31-33(22-10-6-5-7-11-22)28(24)36-26-14-13-21(29)16-25(26)30/h5-16,18H,17H2,1-4H3
InChIKeyJRLZGKDXMIEMMZ-UHFFFAOYSA-N
MW491.54 g/mol
LogP6.31
Rot. Bonds8

About N-[[5-(2,4-difluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]-3-methoxy-N-propan-2-ylbenzamide

N-[[5-(2,4-difluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]-3-methoxy-N-propan-2-ylbenzamide (PubChem CID 51068945) has the molecular formula C28H27F2N3O3 and a molecular weight of 491.54 g/mol. Its IUPAC name is N-[[5-(2,4-difluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]-3-methoxy-N-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-[[5-(2,4-difluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]-3-methoxy-N-propan-2-ylbenzamide
PubChem CID51068945
Molecular FormulaC28H27F2N3O3
Molecular Weight491.54 g/mol
Exact Mass491.20
IUPAC NameN-[[5-(2,4-difluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]-3-methoxy-N-propan-2-ylbenzamide
SMILESCOc1cccc(C(=O)N(Cc2c(C)nn(-c3ccccc3)c2Oc2ccc(F)cc2F)C(C)C)c1
InChIInChI=1S/C28H27F2N3O3/c1-18(2)32(27(34)20-9-8-12-23(15-20)35-4)17-24-19(3)31-33(22-10-6-5-7-11-22)28(24)36-26-14-13-21(29)16-25(26)30/h5-16,18H,17H2,1-4H3
InChIKeyJRLZGKDXMIEMMZ-UHFFFAOYSA-N
XLogP6.31
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.54
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[[5-(2,4-difluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]-3-methoxy-N-propan-2-ylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[5-(2,4-difluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]-4-methyl-N-propan-2-ylbenzamide
CID 51068939
N-[(2S)-butan-2-yl]-4-fluoro-N-[[5-(2-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]benzamide
CID 93135948
2-[[5-(2,4-difluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl-(2-methylpropyl)amino]-1-phenylethanol
CID 42843128
N-[[5-(2,4-difluorophenoxy)-3-ethyl-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]-2-methyl-N-propan-2-ylpropanamide
CID 51066694
(2R)-1-[[5-(2,4-difluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl-propylamino]pentan-2-ol
CID 93218162
3-[5-(2,4-difluorophenoxy)-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-N-methyl-N-propan-2-ylpropanamide
CID 46042659
(2S)-1-[[(2S)-butan-2-yl]-[[5-(2,4-difluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]amino]-3-propan-2-yloxypropan-2-ol
CID 93230911
(2R)-1-[[(2S)-butan-2-yl]-[[5-(2,4-difluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]amino]-3-ethoxypropan-2-ol
CID 99731404
4-fluoro-N-[[5-(4-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]-N-(2-methylpropyl)benzamide
CID 51069031
N-[[5-(2,4-difluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]-N-(furan-2-ylmethyl)furan-2-carboxamide
CID 51068930
(2R)-1-[[5-(2-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl-propan-2-ylamino]propan-2-ol
CID 93227431
N-[(2S)-butan-2-yl]-4-chloro-N-[[5-(4-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]benzamide
CID 93136014

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,4-difluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]-3-methoxy-N-propan-2-ylbenzamide?
The IUPAC name of N-[[5-(2,4-difluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]-3-methoxy-N-propan-2-ylbenzamide (CID 51068945) is N-[[5-(2,4-difluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]-3-methoxy-N-propan-2-ylbenzamide.
What is the SMILES notation for N-[[5-(2,4-difluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]-3-methoxy-N-propan-2-ylbenzamide?
The canonical SMILES for N-[[5-(2,4-difluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]-3-methoxy-N-propan-2-ylbenzamide is COc1cccc(C(=O)N(Cc2c(C)nn(-c3ccccc3)c2Oc2ccc(F)cc2F)C(C)C)c1.
What is the InChIKey of N-[[5-(2,4-difluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]-3-methoxy-N-propan-2-ylbenzamide?
The InChIKey is JRLZGKDXMIEMMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27F2N3O3/c1-18(2)32(27(34)20-9-8-12-23(15-20)35-4)17-24-19(3)31-33(22-10-6-5-7-11-22)28(24)36-26-14-13-21(29)16-25(26)30/h5-16,18H,17H2,1-4H3.
What are the key properties of N-[[5-(2,4-difluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]-3-methoxy-N-propan-2-ylbenzamide?
N-[[5-(2,4-difluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]-3-methoxy-N-propan-2-ylbenzamide has a molecular weight of 491.54 g/mol, XLogP of 6.31, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,4-difluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]-3-methoxy-N-propan-2-ylbenzamide is sourced from PubChem (CID 51068945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).