N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-[3-(4-methoxyphenyl)propyl-methylamino]acetamide

C23H27ClN4O2 — CID 55988606

IUPACN-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-[3-(4-methoxyphenyl)propyl-methylamino]acetamide
SMILESCOc1ccc(CCCN(C)CC(=O)Nc2ccnn2Cc2ccccc2Cl)cc1
InChIInChI=1S/C23H27ClN4O2/c1-27(15-5-6-18-9-11-20(30-2)12-10-18)17-23(29)26-22-13-14-25-28(22)16-19-7-3-4-8-21(19)24/h3-4,7-14H,5-6,15-17H2,1-2H3,(H,26,29)
InChIKeyHHGMOTOPIAEPEY-UHFFFAOYSA-N
MW426.95 g/mol
LogP4.10
Rot. Bonds10

About N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-[3-(4-methoxyphenyl)propyl-methylamino]acetamide

N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-[3-(4-methoxyphenyl)propyl-methylamino]acetamide (PubChem CID 55988606) has the molecular formula C23H27ClN4O2 and a molecular weight of 426.95 g/mol. Its IUPAC name is N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-[3-(4-methoxyphenyl)propyl-methylamino]acetamide.

Molecular Properties

Compound NameN-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-[3-(4-methoxyphenyl)propyl-methylamino]acetamide
PubChem CID55988606
Molecular FormulaC23H27ClN4O2
Molecular Weight426.95 g/mol
Exact Mass426.18
IUPAC NameN-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-[3-(4-methoxyphenyl)propyl-methylamino]acetamide
SMILESCOc1ccc(CCCN(C)CC(=O)Nc2ccnn2Cc2ccccc2Cl)cc1
InChIInChI=1S/C23H27ClN4O2/c1-27(15-5-6-18-9-11-20(30-2)12-10-18)17-23(29)26-22-13-14-25-28(22)16-19-7-3-4-8-21(19)24/h3-4,7-14H,5-6,15-17H2,1-2H3,(H,26,29)
InChIKeyHHGMOTOPIAEPEY-UHFFFAOYSA-N
XLogP4.10
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.95
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-(N-ethylanilino)acetamide
CID 52759135
N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(3,4-dimethoxyphenyl)propanamide
CID 16560066
N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-(2-methoxyphenoxy)acetamide
CID 18193327
N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]-2-[(2-methoxyphenyl)methyl-methylamino]acetamide
CID 18126844
2-(2-methoxyphenoxy)-N-[2-[(4-methoxyphenyl)methyl]pyrazol-3-yl]acetamide
CID 42535302
N-(5-chloro-2-methoxyphenyl)-2-[3-(4-methoxyphenyl)propyl-methylamino]acetamide
CID 60561036
N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-[cyclopentyl(ethyl)amino]acetamide
CID 55741779
N-(2-chlorophenyl)-2-[(4-methoxyphenyl)methyl-methylamino]acetamide
CID 8761356
3-(4-methoxyphenyl)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]propanamide
CID 8911494
N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide
CID 9168457
N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 78835397
2-(2-chlorophenyl)-N-[3-(4-methoxyphenyl)propyl]acetamide
CID 100632856

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-[3-(4-methoxyphenyl)propyl-methylamino]acetamide?
The IUPAC name of N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-[3-(4-methoxyphenyl)propyl-methylamino]acetamide (CID 55988606) is N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-[3-(4-methoxyphenyl)propyl-methylamino]acetamide.
What is the SMILES notation for N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-[3-(4-methoxyphenyl)propyl-methylamino]acetamide?
The canonical SMILES for N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-[3-(4-methoxyphenyl)propyl-methylamino]acetamide is COc1ccc(CCCN(C)CC(=O)Nc2ccnn2Cc2ccccc2Cl)cc1.
What is the InChIKey of N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-[3-(4-methoxyphenyl)propyl-methylamino]acetamide?
The InChIKey is HHGMOTOPIAEPEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN4O2/c1-27(15-5-6-18-9-11-20(30-2)12-10-18)17-23(29)26-22-13-14-25-28(22)16-19-7-3-4-8-21(19)24/h3-4,7-14H,5-6,15-17H2,1-2H3,(H,26,29).
What are the key properties of N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-[3-(4-methoxyphenyl)propyl-methylamino]acetamide?
N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-[3-(4-methoxyphenyl)propyl-methylamino]acetamide has a molecular weight of 426.95 g/mol, XLogP of 4.10, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-[3-(4-methoxyphenyl)propyl-methylamino]acetamide is sourced from PubChem (CID 55988606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).