N-[[1-(3-chlorophenyl)-3-methyl-5-phenoxypyrazol-4-yl]methyl]-N-(cyclopropylmethyl)-2-methoxyacetamide

C24H26ClN3O3 — CID 51068466

IUPACN-[[1-(3-chlorophenyl)-3-methyl-5-phenoxypyrazol-4-yl]methyl]-N-(cyclopropylmethyl)-2-methoxyacetamide
SMILESCOCC(=O)N(Cc1c(C)nn(-c2cccc(Cl)c2)c1Oc1ccccc1)CC1CC1
InChIInChI=1S/C24H26ClN3O3/c1-17-22(15-27(14-18-11-12-18)23(29)16-30-2)24(31-21-9-4-3-5-10-21)28(26-17)20-8-6-7-19(25)13-20/h3-10,13,18H,11-12,14-16H2,1-2H3
InChIKeyUCESRMIQDIEJDJ-UHFFFAOYSA-N
MW439.94 g/mol
LogP5.01
Rot. Bonds9

About N-[[1-(3-chlorophenyl)-3-methyl-5-phenoxypyrazol-4-yl]methyl]-N-(cyclopropylmethyl)-2-methoxyacetamide

N-[[1-(3-chlorophenyl)-3-methyl-5-phenoxypyrazol-4-yl]methyl]-N-(cyclopropylmethyl)-2-methoxyacetamide (PubChem CID 51068466) has the molecular formula C24H26ClN3O3 and a molecular weight of 439.94 g/mol. Its IUPAC name is N-[[1-(3-chlorophenyl)-3-methyl-5-phenoxypyrazol-4-yl]methyl]-N-(cyclopropylmethyl)-2-methoxyacetamide.

Molecular Properties

Compound NameN-[[1-(3-chlorophenyl)-3-methyl-5-phenoxypyrazol-4-yl]methyl]-N-(cyclopropylmethyl)-2-methoxyacetamide
PubChem CID51068466
Molecular FormulaC24H26ClN3O3
Molecular Weight439.94 g/mol
Exact Mass439.17
IUPAC NameN-[[1-(3-chlorophenyl)-3-methyl-5-phenoxypyrazol-4-yl]methyl]-N-(cyclopropylmethyl)-2-methoxyacetamide
SMILESCOCC(=O)N(Cc1c(C)nn(-c2cccc(Cl)c2)c1Oc1ccccc1)CC1CC1
InChIInChI=1S/C24H26ClN3O3/c1-17-22(15-27(14-18-11-12-18)23(29)16-30-2)24(31-21-9-4-3-5-10-21)28(26-17)20-8-6-7-19(25)13-20/h3-10,13,18H,11-12,14-16H2,1-2H3
InChIKeyUCESRMIQDIEJDJ-UHFFFAOYSA-N
XLogP5.01
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.94
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[5-(4-chlorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]-N-(cyclopropylmethyl)benzamide
CID 51069552
1-[[1-(3-chlorophenyl)-3-methyl-5-phenoxypyrazol-4-yl]methyl-(cyclopropylmethyl)amino]pentan-2-ol
CID 46025504
2-methoxy-N-[(3-methyl-5-phenoxy-1-phenylpyrazol-4-yl)methyl]-N-propylacetamide
CID 42818833
(2S)-1-butoxy-3-[[1-(3-chlorophenyl)-3-methyl-5-phenoxypyrazol-4-yl]methyl-(cyclopropylmethyl)amino]propan-2-ol
CID 93222897
(2S)-1-[[1-(3-chlorophenyl)-3-methyl-5-phenoxypyrazol-4-yl]methyl-(cyclopropylmethyl)amino]-3-prop-2-ynoxypropan-2-ol
CID 93217334
N-[[1-(3-chlorophenyl)-3-methyl-5-phenoxypyrazol-4-yl]methyl]-N-cyclopropyl-4-methoxybenzamide
CID 51068442
N-(cyclopropylmethyl)-2-fluoro-N-[(3-methyl-5-phenoxy-1-phenylpyrazol-4-yl)methyl]benzamide
CID 51068520
N-benzyl-N-[[1-(3-chlorophenyl)-3-methyl-5-phenoxypyrazol-4-yl]methyl]-2-methylpropanamide
CID 51068428
N-(cyclopropylmethyl)-4-fluoro-N-[[3-methyl-5-(3-methylphenoxy)-1-phenylpyrazol-4-yl]methyl]benzamide
CID 51069135
(2S)-1-[[1-(3-chlorophenyl)-3-methyl-5-phenoxypyrazol-4-yl]methyl-cyclopropylamino]-3-ethoxypropan-2-ol
CID 93217317
3-tert-butyl-1-[[1-(3-chlorophenyl)-3-methyl-5-phenoxypyrazol-4-yl]methyl]-1-[(4-fluorophenyl)methyl]urea
CID 51068541
N-[[5-(4-chlorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methyl]-N-propylcyclopropanecarboxamide
CID 51069535

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-chlorophenyl)-3-methyl-5-phenoxypyrazol-4-yl]methyl]-N-(cyclopropylmethyl)-2-methoxyacetamide?
The IUPAC name of N-[[1-(3-chlorophenyl)-3-methyl-5-phenoxypyrazol-4-yl]methyl]-N-(cyclopropylmethyl)-2-methoxyacetamide (CID 51068466) is N-[[1-(3-chlorophenyl)-3-methyl-5-phenoxypyrazol-4-yl]methyl]-N-(cyclopropylmethyl)-2-methoxyacetamide.
What is the SMILES notation for N-[[1-(3-chlorophenyl)-3-methyl-5-phenoxypyrazol-4-yl]methyl]-N-(cyclopropylmethyl)-2-methoxyacetamide?
The canonical SMILES for N-[[1-(3-chlorophenyl)-3-methyl-5-phenoxypyrazol-4-yl]methyl]-N-(cyclopropylmethyl)-2-methoxyacetamide is COCC(=O)N(Cc1c(C)nn(-c2cccc(Cl)c2)c1Oc1ccccc1)CC1CC1.
What is the InChIKey of N-[[1-(3-chlorophenyl)-3-methyl-5-phenoxypyrazol-4-yl]methyl]-N-(cyclopropylmethyl)-2-methoxyacetamide?
The InChIKey is UCESRMIQDIEJDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN3O3/c1-17-22(15-27(14-18-11-12-18)23(29)16-30-2)24(31-21-9-4-3-5-10-21)28(26-17)20-8-6-7-19(25)13-20/h3-10,13,18H,11-12,14-16H2,1-2H3.
What are the key properties of N-[[1-(3-chlorophenyl)-3-methyl-5-phenoxypyrazol-4-yl]methyl]-N-(cyclopropylmethyl)-2-methoxyacetamide?
N-[[1-(3-chlorophenyl)-3-methyl-5-phenoxypyrazol-4-yl]methyl]-N-(cyclopropylmethyl)-2-methoxyacetamide has a molecular weight of 439.94 g/mol, XLogP of 5.01, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-chlorophenyl)-3-methyl-5-phenoxypyrazol-4-yl]methyl]-N-(cyclopropylmethyl)-2-methoxyacetamide is sourced from PubChem (CID 51068466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).