N-[bis(4-methoxyphenyl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

C24H29N3O3 — CID 35091912

IUPACN-[bis(4-methoxyphenyl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCOc1ccc(C(NC(=O)CCc2c(C)nn(C)c2C)c2ccc(OC)cc2)cc1
InChIInChI=1S/C24H29N3O3/c1-16-22(17(2)27(3)26-16)14-15-23(28)25-24(18-6-10-20(29-4)11-7-18)19-8-12-21(30-5)13-9-19/h6-13,24H,14-15H2,1-5H3,(H,25,28)
InChIKeyXFFZJITYUXNKME-UHFFFAOYSA-N
MW407.51 g/mol
LogP3.89
Rot. Bonds8

About N-[bis(4-methoxyphenyl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

N-[bis(4-methoxyphenyl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (PubChem CID 35091912) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is N-[bis(4-methoxyphenyl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-[bis(4-methoxyphenyl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
PubChem CID35091912
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC NameN-[bis(4-methoxyphenyl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCOc1ccc(C(NC(=O)CCc2c(C)nn(C)c2C)c2ccc(OC)cc2)cc1
InChIInChI=1S/C24H29N3O3/c1-16-22(17(2)27(3)26-16)14-15-23(28)25-24(18-6-10-20(29-4)11-7-18)19-8-12-21(30-5)13-9-19/h6-13,24H,14-15H2,1-5H3,(H,25,28)
InChIKeyXFFZJITYUXNKME-UHFFFAOYSA-N
XLogP3.89
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-fluorophenyl)-phenylmethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 134035164
N-[(S)-(4-bromophenyl)-phenylmethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 52500131
N-[(4-chlorophenyl)-thiophen-3-ylmethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 60579990
N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 134057490
(3R)-3-(3,4-dimethoxyphenyl)-3-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]propanoic acid
CID 97209272
N-(2,4-dimethoxyphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 17483732
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-methoxyphenyl)-phenylmethyl]propanamide
CID 18166430
N-(2-amino-5-methoxyphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 119421250
N-[(4-methylphenyl)-phenylmethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 51295081
(3S)-3-(4-methoxyphenyl)-5-oxo-5-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pentanoic acid
CID 100816255
N-(3-methylbutan-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 47141857
N-(2-amino-1-naphthalen-2-ylethyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide;dihydrochloride
CID 120567448

Frequently Asked Questions

What is the IUPAC name of N-[bis(4-methoxyphenyl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The IUPAC name of N-[bis(4-methoxyphenyl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (CID 35091912) is N-[bis(4-methoxyphenyl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-[bis(4-methoxyphenyl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The canonical SMILES for N-[bis(4-methoxyphenyl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is COc1ccc(C(NC(=O)CCc2c(C)nn(C)c2C)c2ccc(OC)cc2)cc1.
What is the InChIKey of N-[bis(4-methoxyphenyl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The InChIKey is XFFZJITYUXNKME-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3/c1-16-22(17(2)27(3)26-16)14-15-23(28)25-24(18-6-10-20(29-4)11-7-18)19-8-12-21(30-5)13-9-19/h6-13,24H,14-15H2,1-5H3,(H,25,28).
What are the key properties of N-[bis(4-methoxyphenyl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
N-[bis(4-methoxyphenyl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide has a molecular weight of 407.51 g/mol, XLogP of 3.89, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[bis(4-methoxyphenyl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is sourced from PubChem (CID 35091912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).