N-[[3-ethyl-5-(3-fluorophenoxy)-1-phenylpyrazol-4-yl]methyl]-3-methoxy-N-(2-methoxyethyl)benzamide

C29H30FN3O4 — CID 71956977

IUPACN-[[3-ethyl-5-(3-fluorophenoxy)-1-phenylpyrazol-4-yl]methyl]-3-methoxy-N-(2-methoxyethyl)benzamide
SMILESCCc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1CN(CCOC)C(=O)c1cccc(OC)c1
InChIInChI=1S/C29H30FN3O4/c1-4-27-26(20-32(16-17-35-2)28(34)21-10-8-14-24(18-21)36-3)29(37-25-15-9-11-22(30)19-25)33(31-27)23-12-6-5-7-13-23/h5-15,18-19H,4,16-17,20H2,1-3H3
InChIKeyOKTPOOITVJUAQR-UHFFFAOYSA-N
MW503.57 g/mol
LogP5.66
Rot. Bonds11

About N-[[3-ethyl-5-(3-fluorophenoxy)-1-phenylpyrazol-4-yl]methyl]-3-methoxy-N-(2-methoxyethyl)benzamide

N-[[3-ethyl-5-(3-fluorophenoxy)-1-phenylpyrazol-4-yl]methyl]-3-methoxy-N-(2-methoxyethyl)benzamide (PubChem CID 71956977) has the molecular formula C29H30FN3O4 and a molecular weight of 503.57 g/mol. Its IUPAC name is N-[[3-ethyl-5-(3-fluorophenoxy)-1-phenylpyrazol-4-yl]methyl]-3-methoxy-N-(2-methoxyethyl)benzamide.

Molecular Properties

Compound NameN-[[3-ethyl-5-(3-fluorophenoxy)-1-phenylpyrazol-4-yl]methyl]-3-methoxy-N-(2-methoxyethyl)benzamide
PubChem CID71956977
Molecular FormulaC29H30FN3O4
Molecular Weight503.57 g/mol
Exact Mass503.22
IUPAC NameN-[[3-ethyl-5-(3-fluorophenoxy)-1-phenylpyrazol-4-yl]methyl]-3-methoxy-N-(2-methoxyethyl)benzamide
SMILESCCc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1CN(CCOC)C(=O)c1cccc(OC)c1
InChIInChI=1S/C29H30FN3O4/c1-4-27-26(20-32(16-17-35-2)28(34)21-10-8-14-24(18-21)36-3)29(37-25-15-9-11-22(30)19-25)33(31-27)23-12-6-5-7-13-23/h5-15,18-19H,4,16-17,20H2,1-3H3
InChIKeyOKTPOOITVJUAQR-UHFFFAOYSA-N
XLogP5.66
TPSA65.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.57
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(cyclopropylmethyl)-N-[[3-ethyl-5-(3-methoxyphenoxy)-1-phenylpyrazol-4-yl]methyl]-3-methoxybenzamide
CID 83282617
2-chloro-N-[[3-ethyl-1-(4-fluorophenyl)-5-phenoxypyrazol-4-yl]methyl]-N-(2-methoxyethyl)benzamide
CID 71958625
1-[[3-ethyl-5-(3-fluorophenoxy)-1-phenylpyrazol-4-yl]methyl-(2-methoxyethyl)amino]hexan-2-ol
CID 46028273
2-chloro-N-(2-methoxyethyl)-N-[[5-(3-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]benzamide
CID 51068659
N-[[3-ethyl-1-(4-fluorophenyl)-5-phenoxypyrazol-4-yl]methyl]-3-fluoro-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 93135677
1-(2-methoxyethyl)-1-[[5-(3-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]-3-propylurea
CID 51068718
N-[[5-(2,4-difluorophenoxy)-3-ethyl-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]-N-(2-methoxyethyl)acetamide
CID 51066691
3-[3-ethyl-5-(3-fluorophenoxy)-1-phenylpyrazol-4-yl]-N-methyl-N-propan-2-ylpropanamide
CID 42850417
N-[[3-ethyl-5-(3-fluorophenoxy)-1-phenylpyrazol-4-yl]methyl]-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 93136337
(2R)-1-ethoxy-3-[[3-ethyl-5-(3-methoxyphenoxy)-1-phenylpyrazol-4-yl]methyl-(2-methoxyethyl)amino]propan-2-ol
CID 93217572
N-[[5-(3-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]-4-methyl-N-propylbenzamide
CID 51068682
N-(2-methoxyethyl)-N-[[5-(4-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]propanamide
CID 51069041

Frequently Asked Questions

What is the IUPAC name of N-[[3-ethyl-5-(3-fluorophenoxy)-1-phenylpyrazol-4-yl]methyl]-3-methoxy-N-(2-methoxyethyl)benzamide?
The IUPAC name of N-[[3-ethyl-5-(3-fluorophenoxy)-1-phenylpyrazol-4-yl]methyl]-3-methoxy-N-(2-methoxyethyl)benzamide (CID 71956977) is N-[[3-ethyl-5-(3-fluorophenoxy)-1-phenylpyrazol-4-yl]methyl]-3-methoxy-N-(2-methoxyethyl)benzamide.
What is the SMILES notation for N-[[3-ethyl-5-(3-fluorophenoxy)-1-phenylpyrazol-4-yl]methyl]-3-methoxy-N-(2-methoxyethyl)benzamide?
The canonical SMILES for N-[[3-ethyl-5-(3-fluorophenoxy)-1-phenylpyrazol-4-yl]methyl]-3-methoxy-N-(2-methoxyethyl)benzamide is CCc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1CN(CCOC)C(=O)c1cccc(OC)c1.
What is the InChIKey of N-[[3-ethyl-5-(3-fluorophenoxy)-1-phenylpyrazol-4-yl]methyl]-3-methoxy-N-(2-methoxyethyl)benzamide?
The InChIKey is OKTPOOITVJUAQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30FN3O4/c1-4-27-26(20-32(16-17-35-2)28(34)21-10-8-14-24(18-21)36-3)29(37-25-15-9-11-22(30)19-25)33(31-27)23-12-6-5-7-13-23/h5-15,18-19H,4,16-17,20H2,1-3H3.
What are the key properties of N-[[3-ethyl-5-(3-fluorophenoxy)-1-phenylpyrazol-4-yl]methyl]-3-methoxy-N-(2-methoxyethyl)benzamide?
N-[[3-ethyl-5-(3-fluorophenoxy)-1-phenylpyrazol-4-yl]methyl]-3-methoxy-N-(2-methoxyethyl)benzamide has a molecular weight of 503.57 g/mol, XLogP of 5.66, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-ethyl-5-(3-fluorophenoxy)-1-phenylpyrazol-4-yl]methyl]-3-methoxy-N-(2-methoxyethyl)benzamide is sourced from PubChem (CID 71956977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).