ethane;ethyl 1-amino-4-[1-(2-aminoethyl)pyrazol-3-yl]-3-methylpyrrole-2-carboxylate

C15H25N5O2 — CID 169237376

IUPACethane;ethyl 1-amino-4-[1-(2-aminoethyl)pyrazol-3-yl]-3-methylpyrrole-2-carboxylate
SMILESCC.CCOC(=O)c1c(C)c(-c2ccn(CCN)n2)cn1N
InChIInChI=1S/C13H19N5O2.C2H6/c1-3-20-13(19)12-9(2)10(8-18(12)15)11-4-6-17(16-11)7-5-14;1-2/h4,6,8H,3,5,7,14-15H2,1-2H3;1-2H3
InChIKeyYNKNWKXOKDXGGZ-UHFFFAOYSA-N
MW307.40 g/mol
LogP1.54
Rot. Bonds5

About ethane;ethyl 1-amino-4-[1-(2-aminoethyl)pyrazol-3-yl]-3-methylpyrrole-2-carboxylate

ethane;ethyl 1-amino-4-[1-(2-aminoethyl)pyrazol-3-yl]-3-methylpyrrole-2-carboxylate (PubChem CID 169237376) has the molecular formula C15H25N5O2 and a molecular weight of 307.40 g/mol. Its IUPAC name is ethane;ethyl 1-amino-4-[1-(2-aminoethyl)pyrazol-3-yl]-3-methylpyrrole-2-carboxylate.

Molecular Properties

Compound Nameethane;ethyl 1-amino-4-[1-(2-aminoethyl)pyrazol-3-yl]-3-methylpyrrole-2-carboxylate
PubChem CID169237376
Molecular FormulaC15H25N5O2
Molecular Weight307.40 g/mol
Exact Mass307.20
IUPAC Nameethane;ethyl 1-amino-4-[1-(2-aminoethyl)pyrazol-3-yl]-3-methylpyrrole-2-carboxylate
SMILESCC.CCOC(=O)c1c(C)c(-c2ccn(CCN)n2)cn1N
InChIInChI=1S/C13H19N5O2.C2H6/c1-3-20-13(19)12-9(2)10(8-18(12)15)11-4-6-17(16-11)7-5-14;1-2/h4,6,8H,3,5,7,14-15H2,1-2H3;1-2H3
InChIKeyYNKNWKXOKDXGGZ-UHFFFAOYSA-N
XLogP1.54
TPSA101.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 1-amino-3-methyl-4-(1-propan-2-ylpyrazol-3-yl)pyrrole-2-carboxylate
CID 169237423
2-[3-(1-ethyl-3-methylpyrazol-4-yl)pyrazol-1-yl]ethanamine
CID 19621340
ethyl 1-(2-ethoxycarbonyl-3-fluoropyrrol-1-yl)oxycarbonyloxy-3-fluoropyrrole-2-carboxylate
CID 175389149
ethyl 1-methylpyrrole-3-carboxylate;hydrochloride
CID 141408299
ethyl 2-(2-methoxyphenyl)-4,5-dimethylpyrazole-3-carboxylate
CID 139229097
2-[3-(3-chloro-4-methylphenyl)pyrazol-1-yl]ethanamine;ethane
CID 142374334
ethyl 1-amino-4-methyl-3-phenylpyrrole-2-carboxylate
CID 121004582
ethyl 3-fluoro-1-(2-fluoroethyl)pyrrole-2-carboxylate
CID 178045868
diethyl 1-amino-3-(trifluoromethyl)pyrrole-2,4-dicarboxylate
CID 101341285
ethyl 3-(4-chlorophenyl)-1,4-dimethylpyrazole-5-carboxylate
CID 69282792
diethyl 1-(2-aminoethyl)-4-bromopyrazole-3,5-dicarboxylate
CID 167201572
ethane;ethyl 6-methylimidazo[1,2-b]pyridazine-2-carboxylate
CID 171811452

Frequently Asked Questions

What is the IUPAC name of ethane;ethyl 1-amino-4-[1-(2-aminoethyl)pyrazol-3-yl]-3-methylpyrrole-2-carboxylate?
The IUPAC name of ethane;ethyl 1-amino-4-[1-(2-aminoethyl)pyrazol-3-yl]-3-methylpyrrole-2-carboxylate (CID 169237376) is ethane;ethyl 1-amino-4-[1-(2-aminoethyl)pyrazol-3-yl]-3-methylpyrrole-2-carboxylate.
What is the SMILES notation for ethane;ethyl 1-amino-4-[1-(2-aminoethyl)pyrazol-3-yl]-3-methylpyrrole-2-carboxylate?
The canonical SMILES for ethane;ethyl 1-amino-4-[1-(2-aminoethyl)pyrazol-3-yl]-3-methylpyrrole-2-carboxylate is CC.CCOC(=O)c1c(C)c(-c2ccn(CCN)n2)cn1N.
What is the InChIKey of ethane;ethyl 1-amino-4-[1-(2-aminoethyl)pyrazol-3-yl]-3-methylpyrrole-2-carboxylate?
The InChIKey is YNKNWKXOKDXGGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2.C2H6/c1-3-20-13(19)12-9(2)10(8-18(12)15)11-4-6-17(16-11)7-5-14;1-2/h4,6,8H,3,5,7,14-15H2,1-2H3;1-2H3.
What are the key properties of ethane;ethyl 1-amino-4-[1-(2-aminoethyl)pyrazol-3-yl]-3-methylpyrrole-2-carboxylate?
ethane;ethyl 1-amino-4-[1-(2-aminoethyl)pyrazol-3-yl]-3-methylpyrrole-2-carboxylate has a molecular weight of 307.40 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethyl 1-amino-4-[1-(2-aminoethyl)pyrazol-3-yl]-3-methylpyrrole-2-carboxylate is sourced from PubChem (CID 169237376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).