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

C13H19N3O3 — CID 75358466

IUPACmethyl 4-(cyclopentanecarbonylamino)-1,5-dimethylpyrazole-3-carboxylate
SMILESCOC(=O)c1nn(C)c(C)c1NC(=O)C1CCCC1
InChIInChI=1S/C13H19N3O3/c1-8-10(11(13(18)19-3)15-16(8)2)14-12(17)9-6-4-5-7-9/h9H,4-7H2,1-3H3,(H,14,17)
InChIKeyCRDLYPVSDDMUBC-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.64
Rot. Bonds3

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

methyl 4-(cyclopentanecarbonylamino)-1,5-dimethylpyrazole-3-carboxylate (PubChem CID 75358466) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is methyl 4-(cyclopentanecarbonylamino)-1,5-dimethylpyrazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-(cyclopentanecarbonylamino)-1,5-dimethylpyrazole-3-carboxylate
PubChem CID75358466
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Namemethyl 4-(cyclopentanecarbonylamino)-1,5-dimethylpyrazole-3-carboxylate
SMILESCOC(=O)c1nn(C)c(C)c1NC(=O)C1CCCC1
InChIInChI=1S/C13H19N3O3/c1-8-10(11(13(18)19-3)15-16(8)2)14-12(17)9-6-4-5-7-9/h9H,4-7H2,1-3H3,(H,14,17)
InChIKeyCRDLYPVSDDMUBC-UHFFFAOYSA-N
XLogP1.64
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[(1-acetylpiperidine-3-carbonyl)amino]-1,5-dimethylpyrazole-3-carboxylate
CID 110280729
methyl 1,5-dimethyl-4-(oxolane-2-carbonylamino)pyrazole-3-carboxylate
CID 110280743
methyl 4-[[5-(cyclopropanecarbonylamino)-1-methylpyrazole-3-carbonyl]amino]-1,5-dimethylpyrazole-3-carboxylate
CID 95748286
methyl 4-(3-cyclohexylpropanoylamino)-1,5-dimethylpyrazole-3-carboxylate
CID 95748419
methyl 1,5-dimethyl-4-(propanoylamino)pyrazole-3-carboxylate
CID 95748425
4-amino-N-(1,3,5-trimethylpyrazol-4-yl)cyclohexane-1-carboxamide
CID 61254029
methyl 1,4,5-trimethylpyrazole-3-carboxylate
CID 144787574
N-(1,5-dimethylpyrazol-3-yl)cyclopentanecarboxamide
CID 35761222
methyl 1,5-dimethyl-4-(2-methylbutanoylamino)pyrazole-3-carboxylate
CID 110280744
3-amino-N-(1,3,5-trimethylpyrazol-4-yl)cyclohexane-1-carboxamide
CID 55146550
4-tert-butyl-N-(1,3,5-trimethylpyrazol-4-yl)cyclohexane-1-carboxamide
CID 30663515
N-(1-ethyl-3,5-dimethylpyrazol-4-yl)cyclopentanecarboxamide
CID 3564038

Frequently Asked Questions

What is the IUPAC name of methyl 4-(cyclopentanecarbonylamino)-1,5-dimethylpyrazole-3-carboxylate?
The IUPAC name of methyl 4-(cyclopentanecarbonylamino)-1,5-dimethylpyrazole-3-carboxylate (CID 75358466) is methyl 4-(cyclopentanecarbonylamino)-1,5-dimethylpyrazole-3-carboxylate.
What is the SMILES notation for methyl 4-(cyclopentanecarbonylamino)-1,5-dimethylpyrazole-3-carboxylate?
The canonical SMILES for methyl 4-(cyclopentanecarbonylamino)-1,5-dimethylpyrazole-3-carboxylate is COC(=O)c1nn(C)c(C)c1NC(=O)C1CCCC1.
What is the InChIKey of methyl 4-(cyclopentanecarbonylamino)-1,5-dimethylpyrazole-3-carboxylate?
The InChIKey is CRDLYPVSDDMUBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-8-10(11(13(18)19-3)15-16(8)2)14-12(17)9-6-4-5-7-9/h9H,4-7H2,1-3H3,(H,14,17).
What are the key properties of methyl 4-(cyclopentanecarbonylamino)-1,5-dimethylpyrazole-3-carboxylate?
methyl 4-(cyclopentanecarbonylamino)-1,5-dimethylpyrazole-3-carboxylate has a molecular weight of 265.31 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(cyclopentanecarbonylamino)-1,5-dimethylpyrazole-3-carboxylate is sourced from PubChem (CID 75358466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).