methyl 4-(3-cyclopentylpropanoylamino)-1,3-dimethylpyrazole-5-carboxylate

C15H23N3O3 — CID 95749047

IUPACmethyl 4-(3-cyclopentylpropanoylamino)-1,3-dimethylpyrazole-5-carboxylate
SMILESCOC(=O)c1c(NC(=O)CCC2CCCC2)c(C)nn1C
InChIInChI=1S/C15H23N3O3/c1-10-13(14(15(20)21-3)18(2)17-10)16-12(19)9-8-11-6-4-5-7-11/h11H,4-9H2,1-3H3,(H,16,19)
InChIKeyWKLWEXDWFUWZKQ-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.42
Rot. Bonds5

About methyl 4-(3-cyclopentylpropanoylamino)-1,3-dimethylpyrazole-5-carboxylate

methyl 4-(3-cyclopentylpropanoylamino)-1,3-dimethylpyrazole-5-carboxylate (PubChem CID 95749047) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is methyl 4-(3-cyclopentylpropanoylamino)-1,3-dimethylpyrazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-(3-cyclopentylpropanoylamino)-1,3-dimethylpyrazole-5-carboxylate
PubChem CID95749047
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Namemethyl 4-(3-cyclopentylpropanoylamino)-1,3-dimethylpyrazole-5-carboxylate
SMILESCOC(=O)c1c(NC(=O)CCC2CCCC2)c(C)nn1C
InChIInChI=1S/C15H23N3O3/c1-10-13(14(15(20)21-3)18(2)17-10)16-12(19)9-8-11-6-4-5-7-11/h11H,4-9H2,1-3H3,(H,16,19)
InChIKeyWKLWEXDWFUWZKQ-UHFFFAOYSA-N
XLogP2.42
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-(3-cyclohexylpropanoylamino)-1,5-dimethylpyrazole-3-carboxylate
CID 95748419
methyl 4-(3,3-dimethylbutanoylamino)-1,3-dimethylpyrazole-5-carboxylate
CID 95749097
methyl 4-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propanoylamino]-1,3-dimethylpyrazole-5-carboxylate
CID 95748793
3-cyclopentyl-N-(2,5-dimethylpyrazol-3-yl)propanamide
CID 35291168
3-cyclohexyl-N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)propanamide
CID 122302583
methyl 1,3-dimethyl-4-[(2,3,4,5,6-pentafluorobenzoyl)amino]pyrazole-5-carboxylate
CID 95749126
methyl 4-[3-(5-methoxycyclooctyl)propanoylamino]-1-methylpyrazole-3-carboxylate
CID 143923996
methyl 4-(3-cyclohexylpropanoylamino)-3-methylbenzoate
CID 38091591
methyl 4-[[2-(2,4-dichlorophenoxy)acetyl]amino]-1,3-dimethylpyrazole-5-carboxylate
CID 95749035
3-cyclopentyl-N-(4-methoxyphenyl)propanamide
CID 835546
3-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-N-(3-chloro-4-methoxyphenyl)propanamide
CID 45200156
methyl 4-[(1-ethylpyrazole-3-carbonyl)amino]-1,3-dimethylpyrazole-5-carboxylate
CID 95748815

Frequently Asked Questions

What is the IUPAC name of methyl 4-(3-cyclopentylpropanoylamino)-1,3-dimethylpyrazole-5-carboxylate?
The IUPAC name of methyl 4-(3-cyclopentylpropanoylamino)-1,3-dimethylpyrazole-5-carboxylate (CID 95749047) is methyl 4-(3-cyclopentylpropanoylamino)-1,3-dimethylpyrazole-5-carboxylate.
What is the SMILES notation for methyl 4-(3-cyclopentylpropanoylamino)-1,3-dimethylpyrazole-5-carboxylate?
The canonical SMILES for methyl 4-(3-cyclopentylpropanoylamino)-1,3-dimethylpyrazole-5-carboxylate is COC(=O)c1c(NC(=O)CCC2CCCC2)c(C)nn1C.
What is the InChIKey of methyl 4-(3-cyclopentylpropanoylamino)-1,3-dimethylpyrazole-5-carboxylate?
The InChIKey is WKLWEXDWFUWZKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-10-13(14(15(20)21-3)18(2)17-10)16-12(19)9-8-11-6-4-5-7-11/h11H,4-9H2,1-3H3,(H,16,19).
What are the key properties of methyl 4-(3-cyclopentylpropanoylamino)-1,3-dimethylpyrazole-5-carboxylate?
methyl 4-(3-cyclopentylpropanoylamino)-1,3-dimethylpyrazole-5-carboxylate has a molecular weight of 293.37 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(3-cyclopentylpropanoylamino)-1,3-dimethylpyrazole-5-carboxylate is sourced from PubChem (CID 95749047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).