[1-(cyanomethyl)cyclopropyl]methyl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate

C13H18N4O2 — CID 66125085

IUPAC[1-(cyanomethyl)cyclopropyl]methyl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate
SMILESCCn1nc(C)c(N)c1C(=O)OCC1(CC#N)CC1
InChIInChI=1S/C13H18N4O2/c1-3-17-11(10(15)9(2)16-17)12(18)19-8-13(4-5-13)6-7-14/h3-6,8,15H2,1-2H3
InChIKeyBYTSSWHFMFCOIL-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.64
Rot. Bonds5

About [1-(cyanomethyl)cyclopropyl]methyl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate

[1-(cyanomethyl)cyclopropyl]methyl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate (PubChem CID 66125085) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is [1-(cyanomethyl)cyclopropyl]methyl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate.

Molecular Properties

Compound Name[1-(cyanomethyl)cyclopropyl]methyl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate
PubChem CID66125085
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name[1-(cyanomethyl)cyclopropyl]methyl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate
SMILESCCn1nc(C)c(N)c1C(=O)OCC1(CC#N)CC1
InChIInChI=1S/C13H18N4O2/c1-3-17-11(10(15)9(2)16-17)12(18)19-8-13(4-5-13)6-7-14/h3-6,8,15H2,1-2H3
InChIKeyBYTSSWHFMFCOIL-UHFFFAOYSA-N
XLogP1.64
TPSA93.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [1-(cyanomethyl)cyclopropyl]methyl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(methylamino)-2-oxoethyl] 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate
CID 66124701
4-methylpentan-2-yl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate
CID 66125657
[1-(cyanomethyl)cyclopropyl]methyl 3-methylthiophene-2-carboxylate
CID 71987584
cycloheptyl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate
CID 66124109
oxan-4-ylmethyl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate
CID 66124690
(1-amino-1-oxobutan-2-yl) 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate
CID 66125280
2-phenylethyl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate
CID 66124113
oxan-4-yl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate
CID 66125269
thiophen-3-ylmethyl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate
CID 66123924
1-[[1-(cyanomethyl)cyclopropyl]methyl]-3,5-dimethylpyrazole-4-carboxylic acid
CID 65497999
(1,1-dioxothiolan-3-yl) 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate
CID 66125465
[1-(cyanomethyl)cyclopropyl]methyl 3-amino-4-fluorobenzoate
CID 65496794

Frequently Asked Questions

What is the IUPAC name of [1-(cyanomethyl)cyclopropyl]methyl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate?
The IUPAC name of [1-(cyanomethyl)cyclopropyl]methyl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate (CID 66125085) is [1-(cyanomethyl)cyclopropyl]methyl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate.
What is the SMILES notation for [1-(cyanomethyl)cyclopropyl]methyl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate?
The canonical SMILES for [1-(cyanomethyl)cyclopropyl]methyl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate is CCn1nc(C)c(N)c1C(=O)OCC1(CC#N)CC1.
What is the InChIKey of [1-(cyanomethyl)cyclopropyl]methyl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate?
The InChIKey is BYTSSWHFMFCOIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-3-17-11(10(15)9(2)16-17)12(18)19-8-13(4-5-13)6-7-14/h3-6,8,15H2,1-2H3.
What are the key properties of [1-(cyanomethyl)cyclopropyl]methyl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate?
[1-(cyanomethyl)cyclopropyl]methyl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate has a molecular weight of 262.31 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyanomethyl)cyclopropyl]methyl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate is sourced from PubChem (CID 66125085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).