methyl 5-amino-1-butyl-3-(1-cyclopropylethylamino)pyrazole-4-carboxylate

C14H24N4O2 — CID 102808792

IUPACmethyl 5-amino-1-butyl-3-(1-cyclopropylethylamino)pyrazole-4-carboxylate
SMILESCCCCn1nc(NC(C)C2CC2)c(C(=O)OC)c1N
InChIInChI=1S/C14H24N4O2/c1-4-5-8-18-12(15)11(14(19)20-3)13(17-18)16-9(2)10-6-7-10/h9-10H,4-8,15H2,1-3H3,(H,16,17)
InChIKeyHIRGVAKLSAZIIK-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.26
Rot. Bonds7

About methyl 5-amino-1-butyl-3-(1-cyclopropylethylamino)pyrazole-4-carboxylate

methyl 5-amino-1-butyl-3-(1-cyclopropylethylamino)pyrazole-4-carboxylate (PubChem CID 102808792) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is methyl 5-amino-1-butyl-3-(1-cyclopropylethylamino)pyrazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-1-butyl-3-(1-cyclopropylethylamino)pyrazole-4-carboxylate
PubChem CID102808792
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Namemethyl 5-amino-1-butyl-3-(1-cyclopropylethylamino)pyrazole-4-carboxylate
SMILESCCCCn1nc(NC(C)C2CC2)c(C(=O)OC)c1N
InChIInChI=1S/C14H24N4O2/c1-4-5-8-18-12(15)11(14(19)20-3)13(17-18)16-9(2)10-6-7-10/h9-10H,4-8,15H2,1-3H3,(H,16,17)
InChIKeyHIRGVAKLSAZIIK-UHFFFAOYSA-N
XLogP2.26
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-amino-3-(1-cyclopropylethylamino)-4-methoxycarbonylpyrazol-1-yl]acetic acid
CID 102809099
methyl 5-amino-1-butyl-3-(oxan-4-ylamino)pyrazole-4-carboxylate
CID 102808783
2-[5-amino-3-(1-cyclopropylethylamino)-4-methylsulfonylpyrazol-1-yl]ethanol
CID 102825419
methyl 5-amino-3-(cyclopropylamino)-1-[2-(dimethylamino)ethyl]pyrazole-4-carboxylate
CID 102808980
methyl 5-amino-3-(cyclobutylamino)-1-[2-(dimethylamino)ethyl]pyrazole-4-carboxylate
CID 102808982
methyl 5-amino-1-ethyl-3-(piperidin-4-ylamino)pyrazole-4-carboxylate
CID 102808675
methyl 5-amino-3-(dimethylamino)-1-propylpyrazole-4-carboxylate
CID 102808706
dimethyl 3-amino-5-(1-cyclopropylethylamino)thiophene-2,4-dicarboxylate
CID 103427567
methyl 5-amino-6-(1-cyclopropylethylamino)pyridine-2-carboxylate
CID 114405484
methyl 5-amino-3-(3-hydroxypiperidin-1-yl)-1-propylpyrazole-4-carboxylate
CID 102808709
methyl 5-amino-3-piperazin-1-yl-1-propylpyrazole-4-carboxylate
CID 102808721
methyl 5-amino-1-butan-2-yl-3-(methylamino)pyrazole-4-carboxylate
CID 102808854

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-1-butyl-3-(1-cyclopropylethylamino)pyrazole-4-carboxylate?
The IUPAC name of methyl 5-amino-1-butyl-3-(1-cyclopropylethylamino)pyrazole-4-carboxylate (CID 102808792) is methyl 5-amino-1-butyl-3-(1-cyclopropylethylamino)pyrazole-4-carboxylate.
What is the SMILES notation for methyl 5-amino-1-butyl-3-(1-cyclopropylethylamino)pyrazole-4-carboxylate?
The canonical SMILES for methyl 5-amino-1-butyl-3-(1-cyclopropylethylamino)pyrazole-4-carboxylate is CCCCn1nc(NC(C)C2CC2)c(C(=O)OC)c1N.
What is the InChIKey of methyl 5-amino-1-butyl-3-(1-cyclopropylethylamino)pyrazole-4-carboxylate?
The InChIKey is HIRGVAKLSAZIIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-4-5-8-18-12(15)11(14(19)20-3)13(17-18)16-9(2)10-6-7-10/h9-10H,4-8,15H2,1-3H3,(H,16,17).
What are the key properties of methyl 5-amino-1-butyl-3-(1-cyclopropylethylamino)pyrazole-4-carboxylate?
methyl 5-amino-1-butyl-3-(1-cyclopropylethylamino)pyrazole-4-carboxylate has a molecular weight of 280.37 g/mol, XLogP of 2.26, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-1-butyl-3-(1-cyclopropylethylamino)pyrazole-4-carboxylate is sourced from PubChem (CID 102808792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).