methyl 5-amino-3-[ethyl(methyl)amino]-1-(2-hydroxycyclohexyl)pyrazole-4-carboxylate

C14H24N4O3 — CID 102809007

IUPACmethyl 5-amino-3-[ethyl(methyl)amino]-1-(2-hydroxycyclohexyl)pyrazole-4-carboxylate
SMILESCCN(C)c1nn(C2CCCCC2O)c(N)c1C(=O)OC
InChIInChI=1S/C14H24N4O3/c1-4-17(2)13-11(14(20)21-3)12(15)18(16-13)9-7-5-6-8-10(9)19/h9-10,19H,4-8,15H2,1-3H3
InChIKeyWJFLRBZVWNELFM-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.18
Rot. Bonds4

About methyl 5-amino-3-[ethyl(methyl)amino]-1-(2-hydroxycyclohexyl)pyrazole-4-carboxylate

methyl 5-amino-3-[ethyl(methyl)amino]-1-(2-hydroxycyclohexyl)pyrazole-4-carboxylate (PubChem CID 102809007) has the molecular formula C14H24N4O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is methyl 5-amino-3-[ethyl(methyl)amino]-1-(2-hydroxycyclohexyl)pyrazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-3-[ethyl(methyl)amino]-1-(2-hydroxycyclohexyl)pyrazole-4-carboxylate
PubChem CID102809007
Molecular FormulaC14H24N4O3
Molecular Weight296.37 g/mol
Exact Mass296.18
IUPAC Namemethyl 5-amino-3-[ethyl(methyl)amino]-1-(2-hydroxycyclohexyl)pyrazole-4-carboxylate
SMILESCCN(C)c1nn(C2CCCCC2O)c(N)c1C(=O)OC
InChIInChI=1S/C14H24N4O3/c1-4-17(2)13-11(14(20)21-3)12(15)18(16-13)9-7-5-6-8-10(9)19/h9-10,19H,4-8,15H2,1-3H3
InChIKeyWJFLRBZVWNELFM-UHFFFAOYSA-N
XLogP1.18
TPSA93.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-3-[ethyl(methyl)amino]-1-(2-hydroxycyclohexyl)pyrazole-4-carboxylate?
The IUPAC name of methyl 5-amino-3-[ethyl(methyl)amino]-1-(2-hydroxycyclohexyl)pyrazole-4-carboxylate (CID 102809007) is methyl 5-amino-3-[ethyl(methyl)amino]-1-(2-hydroxycyclohexyl)pyrazole-4-carboxylate.
What is the SMILES notation for methyl 5-amino-3-[ethyl(methyl)amino]-1-(2-hydroxycyclohexyl)pyrazole-4-carboxylate?
The canonical SMILES for methyl 5-amino-3-[ethyl(methyl)amino]-1-(2-hydroxycyclohexyl)pyrazole-4-carboxylate is CCN(C)c1nn(C2CCCCC2O)c(N)c1C(=O)OC.
What is the InChIKey of methyl 5-amino-3-[ethyl(methyl)amino]-1-(2-hydroxycyclohexyl)pyrazole-4-carboxylate?
The InChIKey is WJFLRBZVWNELFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O3/c1-4-17(2)13-11(14(20)21-3)12(15)18(16-13)9-7-5-6-8-10(9)19/h9-10,19H,4-8,15H2,1-3H3.
What are the key properties of methyl 5-amino-3-[ethyl(methyl)amino]-1-(2-hydroxycyclohexyl)pyrazole-4-carboxylate?
methyl 5-amino-3-[ethyl(methyl)amino]-1-(2-hydroxycyclohexyl)pyrazole-4-carboxylate has a molecular weight of 296.37 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-3-[ethyl(methyl)amino]-1-(2-hydroxycyclohexyl)pyrazole-4-carboxylate is sourced from PubChem (CID 102809007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).