N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-(1-methylpiperidin-4-yl)oxyphenyl]-3-methylbenzamide

C24H27ClN4O2 — CID 66928508

IUPACN-[3-(4-chloro-1-methylpyrazol-5-yl)-4-(1-methylpiperidin-4-yl)oxyphenyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2ccc(OC3CCN(C)CC3)c(-c3c(Cl)cnn3C)c2)c1
InChIInChI=1S/C24H27ClN4O2/c1-16-5-4-6-17(13-16)24(30)27-18-7-8-22(31-19-9-11-28(2)12-10-19)20(14-18)23-21(25)15-26-29(23)3/h4-8,13-15,19H,9-12H2,1-3H3,(H,27,30)
InChIKeyVNIIEULCZUAHQI-UHFFFAOYSA-N
MW438.96 g/mol
LogP4.77
Rot. Bonds5

About N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-(1-methylpiperidin-4-yl)oxyphenyl]-3-methylbenzamide

N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-(1-methylpiperidin-4-yl)oxyphenyl]-3-methylbenzamide (PubChem CID 66928508) has the molecular formula C24H27ClN4O2 and a molecular weight of 438.96 g/mol. Its IUPAC name is N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-(1-methylpiperidin-4-yl)oxyphenyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[3-(4-chloro-1-methylpyrazol-5-yl)-4-(1-methylpiperidin-4-yl)oxyphenyl]-3-methylbenzamide
PubChem CID66928508
Molecular FormulaC24H27ClN4O2
Molecular Weight438.96 g/mol
Exact Mass438.18
IUPAC NameN-[3-(4-chloro-1-methylpyrazol-5-yl)-4-(1-methylpiperidin-4-yl)oxyphenyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2ccc(OC3CCN(C)CC3)c(-c3c(Cl)cnn3C)c2)c1
InChIInChI=1S/C24H27ClN4O2/c1-16-5-4-6-17(13-16)24(30)27-18-7-8-22(31-19-9-11-28(2)12-10-19)20(14-18)23-21(25)15-26-29(23)3/h4-8,13-15,19H,9-12H2,1-3H3,(H,27,30)
InChIKeyVNIIEULCZUAHQI-UHFFFAOYSA-N
XLogP4.77
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.96
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-[2-(4-methoxypiperidin-1-yl)ethoxy]phenyl]-3-(trifluoromethyl)benzamide
CID 66927919
4-[2-[2-(4-chloro-1-methylpyrazol-5-yl)-4-[[3-(trifluoromethyl)benzoyl]amino]phenoxy]ethyl]piperazine-1-carboxylic acid;N-methylmethanamine
CID 69492655
N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]phenyl]-3-(trifluoromethyl)benzamide
CID 66927775
N-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-3-methylbenzamide
CID 17102762
N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-(2-morpholin-4-ylethoxy)phenyl]pyridine-3-carboxamide
CID 66927790
N-[4-(2-amino-3,3-dimethylbutoxy)-3-(4-chloro-1-methylpyrazol-5-yl)phenyl]pyridine-3-carboxamide
CID 66830733
N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]-2-(oxan-4-ylamino)acetamide
CID 24815832
N-[3-(4-bromo-1-methylpyrazol-5-yl)-4-piperidin-3-yloxyphenyl]-4-chlorobenzamide
CID 66927930
N-(3-chloro-4-methylphenyl)-3-methylbenzamide
CID 710448
N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-2-(cyclopropylamino)acetamide
CID 24815559
(1-methylpiperidin-4-yl) 3-methylbenzoate chloride
CID 53347537
N-[4-[(2S)-2-amino-2-cyclohexylethoxy]-3-(4-chloro-1-methylpyrazol-5-yl)phenyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 24890277

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-(1-methylpiperidin-4-yl)oxyphenyl]-3-methylbenzamide?
The IUPAC name of N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-(1-methylpiperidin-4-yl)oxyphenyl]-3-methylbenzamide (CID 66928508) is N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-(1-methylpiperidin-4-yl)oxyphenyl]-3-methylbenzamide.
What is the SMILES notation for N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-(1-methylpiperidin-4-yl)oxyphenyl]-3-methylbenzamide?
The canonical SMILES for N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-(1-methylpiperidin-4-yl)oxyphenyl]-3-methylbenzamide is Cc1cccc(C(=O)Nc2ccc(OC3CCN(C)CC3)c(-c3c(Cl)cnn3C)c2)c1.
What is the InChIKey of N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-(1-methylpiperidin-4-yl)oxyphenyl]-3-methylbenzamide?
The InChIKey is VNIIEULCZUAHQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN4O2/c1-16-5-4-6-17(13-16)24(30)27-18-7-8-22(31-19-9-11-28(2)12-10-19)20(14-18)23-21(25)15-26-29(23)3/h4-8,13-15,19H,9-12H2,1-3H3,(H,27,30).
What are the key properties of N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-(1-methylpiperidin-4-yl)oxyphenyl]-3-methylbenzamide?
N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-(1-methylpiperidin-4-yl)oxyphenyl]-3-methylbenzamide has a molecular weight of 438.96 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-(1-methylpiperidin-4-yl)oxyphenyl]-3-methylbenzamide is sourced from PubChem (CID 66928508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).