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

C28H26FN3O3 — CID 51068678

IUPACN-cyclopropyl-2-fluoro-N-[[5-(3-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]benzamide
SMILESCOc1cccc(Oc2c(CN(C(=O)c3ccccc3F)C3CC3)c(C)nn2-c2ccccc2)c1
InChIInChI=1S/C28H26FN3O3/c1-19-25(18-31(20-15-16-20)27(33)24-13-6-7-14-26(24)29)28(32(30-19)21-9-4-3-5-10-21)35-23-12-8-11-22(17-23)34-2/h3-14,17,20H,15-16,18H2,1-2H3
InChIKeyYXBLOOWFZSZUOE-UHFFFAOYSA-N
MW471.53 g/mol
LogP5.93
Rot. Bonds8

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

N-cyclopropyl-2-fluoro-N-[[5-(3-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]benzamide (PubChem CID 51068678) has the molecular formula C28H26FN3O3 and a molecular weight of 471.53 g/mol. Its IUPAC name is N-cyclopropyl-2-fluoro-N-[[5-(3-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-2-fluoro-N-[[5-(3-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]benzamide
PubChem CID51068678
Molecular FormulaC28H26FN3O3
Molecular Weight471.53 g/mol
Exact Mass471.20
IUPAC NameN-cyclopropyl-2-fluoro-N-[[5-(3-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]benzamide
SMILESCOc1cccc(Oc2c(CN(C(=O)c3ccccc3F)C3CC3)c(C)nn2-c2ccccc2)c1
InChIInChI=1S/C28H26FN3O3/c1-19-25(18-31(20-15-16-20)27(33)24-13-6-7-14-26(24)29)28(32(30-19)21-9-4-3-5-10-21)35-23-12-8-11-22(17-23)34-2/h3-14,17,20H,15-16,18H2,1-2H3
InChIKeyYXBLOOWFZSZUOE-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-(2-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]benzamide
CID 51069012
N-(cyclopropylmethyl)-2-fluoro-N-[(3-methyl-5-phenoxy-1-phenylpyrazol-4-yl)methyl]benzamide
CID 51068520
N-[[1-(3-chlorophenyl)-3-methyl-5-phenoxypyrazol-4-yl]methyl]-N-cyclopropyl-4-methoxybenzamide
CID 51068442
N-cyclopropyl-N-[[5-(4-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]-2-methylpropanamide
CID 51069070
N-[[1-(3-chlorophenyl)-5-(4-methoxyphenoxy)-3-methylpyrazol-4-yl]methyl]-N-cyclopropyl-3-fluorobenzamide
CID 51068388
2-chloro-N-(2-methoxyethyl)-N-[[5-(3-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]benzamide
CID 51068659
N-[[5-(3-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]-4-methyl-N-propylbenzamide
CID 51068682
(2R)-1-[cyclopropyl-[[5-(3-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]amino]hex-5-en-2-ol
CID 93218041
1-[[5-(4-chlorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]-1-cyclopropyl-3-propylurea
CID 51069594
2-chloro-N-cyclopropyl-N-[[3-ethyl-5-(2-fluorophenoxy)-1-phenylpyrazol-4-yl]methyl]benzamide
CID 51068869
N-(cyclopropylmethyl)-4-fluoro-N-[[3-methyl-5-(3-methylphenoxy)-1-phenylpyrazol-4-yl]methyl]benzamide
CID 51069135
1-[cyclopropyl-[[5-(3-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]amino]-3-prop-2-enoxypropan-2-ol
CID 46025847

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-fluoro-N-[[5-(3-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]benzamide?
The IUPAC name of N-cyclopropyl-2-fluoro-N-[[5-(3-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]benzamide (CID 51068678) is N-cyclopropyl-2-fluoro-N-[[5-(3-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]benzamide.
What is the SMILES notation for N-cyclopropyl-2-fluoro-N-[[5-(3-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]benzamide?
The canonical SMILES for N-cyclopropyl-2-fluoro-N-[[5-(3-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]benzamide is COc1cccc(Oc2c(CN(C(=O)c3ccccc3F)C3CC3)c(C)nn2-c2ccccc2)c1.
What is the InChIKey of N-cyclopropyl-2-fluoro-N-[[5-(3-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]benzamide?
The InChIKey is YXBLOOWFZSZUOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26FN3O3/c1-19-25(18-31(20-15-16-20)27(33)24-13-6-7-14-26(24)29)28(32(30-19)21-9-4-3-5-10-21)35-23-12-8-11-22(17-23)34-2/h3-14,17,20H,15-16,18H2,1-2H3.
What are the key properties of N-cyclopropyl-2-fluoro-N-[[5-(3-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]benzamide?
N-cyclopropyl-2-fluoro-N-[[5-(3-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-(3-methoxyphenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]benzamide is sourced from PubChem (CID 51068678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).