N-cyclopropyl-2-fluoro-N-[[5-(2-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]benzamide

C28H26FN3O3 — CID 51069012

IUPACN-cyclopropyl-2-fluoro-N-[[5-(2-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]benzamide
SMILESCOc1ccccc1Oc1c(CN(C(=O)c2ccccc2F)C2CC2)c(C)nn1-c1ccccc1
InChIInChI=1S/C28H26FN3O3/c1-19-23(18-31(20-16-17-20)27(33)22-12-6-7-13-24(22)29)28(32(30-19)21-10-4-3-5-11-21)35-26-15-9-8-14-25(26)34-2/h3-15,20H,16-18H2,1-2H3
InChIKeyADKJWTVTPBFXHP-UHFFFAOYSA-N
MW471.53 g/mol
LogP5.93
Rot. Bonds8

About N-cyclopropyl-2-fluoro-N-[[5-(2-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]benzamide

N-cyclopropyl-2-fluoro-N-[[5-(2-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]benzamide (PubChem CID 51069012) has the molecular formula C28H26FN3O3 and a molecular weight of 471.53 g/mol. Its IUPAC name is N-cyclopropyl-2-fluoro-N-[[5-(2-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-2-fluoro-N-[[5-(2-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]benzamide
PubChem CID51069012
Molecular FormulaC28H26FN3O3
Molecular Weight471.53 g/mol
Exact Mass471.20
IUPAC NameN-cyclopropyl-2-fluoro-N-[[5-(2-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]benzamide
SMILESCOc1ccccc1Oc1c(CN(C(=O)c2ccccc2F)C2CC2)c(C)nn1-c1ccccc1
InChIInChI=1S/C28H26FN3O3/c1-19-23(18-31(20-16-17-20)27(33)22-12-6-7-13-24(22)29)28(32(30-19)21-10-4-3-5-11-21)35-26-15-9-8-14-25(26)34-2/h3-15,20H,16-18H2,1-2H3
InChIKeyADKJWTVTPBFXHP-UHFFFAOYSA-N
XLogP5.93
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.53
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-2-fluoro-N-[[5-(3-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]benzamide
CID 51068678
2-chloro-N-cyclopropyl-N-[[3-ethyl-5-(2-fluorophenoxy)-1-phenylpyrazol-4-yl]methyl]benzamide
CID 51068869
N-[[1-(4-chlorophenyl)-5-(2-methoxyphenoxy)-3-methylpyrazol-4-yl]methyl]-2-fluoro-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 98402711
N-(cyclopropylmethyl)-2-fluoro-N-[(3-methyl-5-phenoxy-1-phenylpyrazol-4-yl)methyl]benzamide
CID 51068520
2-chloro-N-[(4-fluorophenyl)methyl]-N-[[5-(2-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]benzamide
CID 51069020
N-benzyl-N-[[5-(2-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]benzamide
CID 51069000
N-[(2S)-butan-2-yl]-N-[[5-(2-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]cyclopropanecarboxamide
CID 93135964
N-[(2R)-butan-2-yl]-N-[[5-(2-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]cyclobutanecarboxamide
CID 93135955
N-[(2S)-butan-2-yl]-4-fluoro-N-[[5-(2-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]benzamide
CID 93135948
4-chloro-N-[[5-(2-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 98404561
N-cyclopropyl-N-[[5-(4-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]-2-methylpropanamide
CID 51069070
1-[cyclopropyl-[[5-(2-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 42843044

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-fluoro-N-[[5-(2-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]benzamide?
The IUPAC name of N-cyclopropyl-2-fluoro-N-[[5-(2-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]benzamide (CID 51069012) is N-cyclopropyl-2-fluoro-N-[[5-(2-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]benzamide.
What is the SMILES notation for N-cyclopropyl-2-fluoro-N-[[5-(2-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]benzamide?
The canonical SMILES for N-cyclopropyl-2-fluoro-N-[[5-(2-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]benzamide is COc1ccccc1Oc1c(CN(C(=O)c2ccccc2F)C2CC2)c(C)nn1-c1ccccc1.
What is the InChIKey of N-cyclopropyl-2-fluoro-N-[[5-(2-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]benzamide?
The InChIKey is ADKJWTVTPBFXHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26FN3O3/c1-19-23(18-31(20-16-17-20)27(33)22-12-6-7-13-24(22)29)28(32(30-19)21-10-4-3-5-11-21)35-26-15-9-8-14-25(26)34-2/h3-15,20H,16-18H2,1-2H3.
What are the key properties of N-cyclopropyl-2-fluoro-N-[[5-(2-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]benzamide?
N-cyclopropyl-2-fluoro-N-[[5-(2-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]benzamide has a molecular weight of 471.53 g/mol, XLogP of 5.93, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-fluoro-N-[[5-(2-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]benzamide is sourced from PubChem (CID 51069012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).