ethyl 5-amino-4-methyl-1-propylpyrazole-3-carboxylate

C10H17N3O2 — CID 165463383

IUPACethyl 5-amino-4-methyl-1-propylpyrazole-3-carboxylate
SMILESCCCn1nc(C(=O)OCC)c(C)c1N
InChIInChI=1S/C10H17N3O2/c1-4-6-13-9(11)7(3)8(12-13)10(14)15-5-2/h4-6,11H2,1-3H3
InChIKeyBVFDQEVAESYJBS-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.36
Rot. Bonds4

About ethyl 5-amino-4-methyl-1-propylpyrazole-3-carboxylate

ethyl 5-amino-4-methyl-1-propylpyrazole-3-carboxylate (PubChem CID 165463383) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is ethyl 5-amino-4-methyl-1-propylpyrazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-4-methyl-1-propylpyrazole-3-carboxylate
PubChem CID165463383
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Nameethyl 5-amino-4-methyl-1-propylpyrazole-3-carboxylate
SMILESCCCn1nc(C(=O)OCC)c(C)c1N
InChIInChI=1S/C10H17N3O2/c1-4-6-13-9(11)7(3)8(12-13)10(14)15-5-2/h4-6,11H2,1-3H3
InChIKeyBVFDQEVAESYJBS-UHFFFAOYSA-N
XLogP1.36
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-amino-4-(azetidin-3-yl)-1-propylpyrazole-3-carboxylate
CID 165476890
methyl 5-amino-1,4-dipropylpyrazole-3-carboxylate
CID 165475313
ethyl 1,5-dipropyltriazole-4-carboxylate
CID 103106241
ethyl 5-amino-1-[(2-fluorophenyl)methyl]-4-methylpyrazole-3-carboxylate;prop-1-ene
CID 142142033
methyl 5-amino-1-propyl-4-(2,2,2-trifluoroethyl)pyrazole-3-carboxylate
CID 165485668
ethyl 3-methyl-4-nitro-1-propylpyrazole-5-carboxylate
CID 71650999
diethyl 3,6-diaminopyrazine-2,5-dicarboxylate
CID 15404198
ethyl 5-amino-4-methyl-1-(4-methyl-1,3-thiazol-2-yl)pyrazole-3-carboxylate
CID 82590106
ethyl 4-amino-5-carbamoyl-1-(2-propoxyethyl)pyrazole-3-carboxylate
CID 70837925
ethyl 3-chloro-1-propylpyrazole-5-carboxylate
CID 139809067
ethyl 5-amino-1-ethyl-4-pyrimidin-2-ylpyrazole-3-carboxylate
CID 165488403
diethyl 1-(2-aminoethyl)-4-bromopyrazole-3,5-dicarboxylate
CID 167201572

Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-4-methyl-1-propylpyrazole-3-carboxylate?
The IUPAC name of ethyl 5-amino-4-methyl-1-propylpyrazole-3-carboxylate (CID 165463383) is ethyl 5-amino-4-methyl-1-propylpyrazole-3-carboxylate.
What is the SMILES notation for ethyl 5-amino-4-methyl-1-propylpyrazole-3-carboxylate?
The canonical SMILES for ethyl 5-amino-4-methyl-1-propylpyrazole-3-carboxylate is CCCn1nc(C(=O)OCC)c(C)c1N.
What is the InChIKey of ethyl 5-amino-4-methyl-1-propylpyrazole-3-carboxylate?
The InChIKey is BVFDQEVAESYJBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-4-6-13-9(11)7(3)8(12-13)10(14)15-5-2/h4-6,11H2,1-3H3.
What are the key properties of ethyl 5-amino-4-methyl-1-propylpyrazole-3-carboxylate?
ethyl 5-amino-4-methyl-1-propylpyrazole-3-carboxylate has a molecular weight of 211.26 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-4-methyl-1-propylpyrazole-3-carboxylate is sourced from PubChem (CID 165463383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).