methyl 3-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl-methylcarbamoyl]amino]-4-methoxybenzoate

C18H24N4O4 — CID 72864766

IUPACmethyl 3-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl-methylcarbamoyl]amino]-4-methoxybenzoate
SMILESCOC(=O)c1ccc(OC)c(NC(=O)N(C)CCc2c(C)n[nH]c2C)c1
InChIInChI=1S/C18H24N4O4/c1-11-14(12(2)21-20-11)8-9-22(3)18(24)19-15-10-13(17(23)26-5)6-7-16(15)25-4/h6-7,10H,8-9H2,1-5H3,(H,19,24)(H,20,21)
InChIKeyFRSOABFEKCIVBU-UHFFFAOYSA-N
MW360.41 g/mol
LogP2.53
Rot. Bonds6

About methyl 3-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl-methylcarbamoyl]amino]-4-methoxybenzoate

methyl 3-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl-methylcarbamoyl]amino]-4-methoxybenzoate (PubChem CID 72864766) has the molecular formula C18H24N4O4 and a molecular weight of 360.41 g/mol. Its IUPAC name is methyl 3-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl-methylcarbamoyl]amino]-4-methoxybenzoate.

Molecular Properties

Compound Namemethyl 3-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl-methylcarbamoyl]amino]-4-methoxybenzoate
PubChem CID72864766
Molecular FormulaC18H24N4O4
Molecular Weight360.41 g/mol
Exact Mass360.18
IUPAC Namemethyl 3-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl-methylcarbamoyl]amino]-4-methoxybenzoate
SMILESCOC(=O)c1ccc(OC)c(NC(=O)N(C)CCc2c(C)n[nH]c2C)c1
InChIInChI=1S/C18H24N4O4/c1-11-14(12(2)21-20-11)8-9-22(3)18(24)19-15-10-13(17(23)26-5)6-7-16(15)25-4/h6-7,10H,8-9H2,1-5H3,(H,19,24)(H,20,21)
InChIKeyFRSOABFEKCIVBU-UHFFFAOYSA-N
XLogP2.53
TPSA96.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 3-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl-methylcarbamoyl]amino]-4-methoxybenzoate with MolForge

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Related Compounds

1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(2-methoxy-3-pyridinyl)-1-methylurea
CID 72904070
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-methoxy-5-methylphenyl)propanamide
CID 110685626
methyl 3-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]-4-propan-2-yloxybenzoate
CID 75449805
3-(2,5-dimethoxyphenyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-1-methylurea
CID 44765235
methyl 4-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]benzoate
CID 43645040
methyl 3-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-4-methylbenzoate
CID 60934285
3-(5-acetyl-2-methoxyphenyl)-1-methyl-1-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)urea
CID 72842905
methyl 3-[[butyl(methyl)carbamoyl]amino]-4-chlorobenzoate
CID 108990819
1-(2-cyanoethyl)-3-(2-methoxy-5-methylphenyl)-1-methylurea
CID 3859282
2-(dimethylamino)ethyl 3-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propoxy]-4-fluorobenzoate
CID 167448397
5-chloro-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N,2-dimethylbenzamide
CID 77079296
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-5-fluoro-N,2-dimethylbenzamide
CID 77083511

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl-methylcarbamoyl]amino]-4-methoxybenzoate?
The IUPAC name of methyl 3-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl-methylcarbamoyl]amino]-4-methoxybenzoate (CID 72864766) is methyl 3-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl-methylcarbamoyl]amino]-4-methoxybenzoate.
What is the SMILES notation for methyl 3-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl-methylcarbamoyl]amino]-4-methoxybenzoate?
The canonical SMILES for methyl 3-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl-methylcarbamoyl]amino]-4-methoxybenzoate is COC(=O)c1ccc(OC)c(NC(=O)N(C)CCc2c(C)n[nH]c2C)c1.
What is the InChIKey of methyl 3-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl-methylcarbamoyl]amino]-4-methoxybenzoate?
The InChIKey is FRSOABFEKCIVBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O4/c1-11-14(12(2)21-20-11)8-9-22(3)18(24)19-15-10-13(17(23)26-5)6-7-16(15)25-4/h6-7,10H,8-9H2,1-5H3,(H,19,24)(H,20,21).
What are the key properties of methyl 3-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl-methylcarbamoyl]amino]-4-methoxybenzoate?
methyl 3-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl-methylcarbamoyl]amino]-4-methoxybenzoate has a molecular weight of 360.41 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl-methylcarbamoyl]amino]-4-methoxybenzoate is sourced from PubChem (CID 72864766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).