methyl 1-amino-3-methyl-4-(1-propan-2-ylpyrazol-3-yl)pyrrole-2-carboxylate

C13H18N4O2 — CID 169237423

IUPACmethyl 1-amino-3-methyl-4-(1-propan-2-ylpyrazol-3-yl)pyrrole-2-carboxylate
SMILESCOC(=O)c1c(C)c(-c2ccn(C(C)C)n2)cn1N
InChIInChI=1S/C13H18N4O2/c1-8(2)17-6-5-11(15-17)10-7-16(14)12(9(10)3)13(18)19-4/h5-8H,14H2,1-4H3
InChIKeyJDMBJLAIJKOZBF-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.74
Rot. Bonds3

About methyl 1-amino-3-methyl-4-(1-propan-2-ylpyrazol-3-yl)pyrrole-2-carboxylate

methyl 1-amino-3-methyl-4-(1-propan-2-ylpyrazol-3-yl)pyrrole-2-carboxylate (PubChem CID 169237423) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is methyl 1-amino-3-methyl-4-(1-propan-2-ylpyrazol-3-yl)pyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-amino-3-methyl-4-(1-propan-2-ylpyrazol-3-yl)pyrrole-2-carboxylate
PubChem CID169237423
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Namemethyl 1-amino-3-methyl-4-(1-propan-2-ylpyrazol-3-yl)pyrrole-2-carboxylate
SMILESCOC(=O)c1c(C)c(-c2ccn(C(C)C)n2)cn1N
InChIInChI=1S/C13H18N4O2/c1-8(2)17-6-5-11(15-17)10-7-16(14)12(9(10)3)13(18)19-4/h5-8H,14H2,1-4H3
InChIKeyJDMBJLAIJKOZBF-UHFFFAOYSA-N
XLogP1.74
TPSA75.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethane;methyl 1-amino-3-methyl-4-pyridin-3-ylpyrrole-2-carboxylate
CID 169237726
methyl 5-amino-1-(1-propan-2-ylpyrazol-3-yl)imidazole-4-carboxylate
CID 114251426
1-[2,4-dimethyl-5-(1-propan-2-ylpyrazol-3-yl)thiophen-3-yl]-2-hydroxyethanone
CID 170126687
methyl 4,5-dimethyl-2-phenylpyrazole-3-carboxylate
CID 56693895
2-chloro-5-fluoro-3-(1-propan-2-ylpyrazol-3-yl)aniline
CID 141300014
methyl 2-[[5-(1-propan-2-ylpyrazol-3-yl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate
CID 23007127
4-(1-propan-2-ylpyrazol-3-yl)-1H-pyridazin-6-one
CID 154869277
2-(2-methoxyethoxy)-N-(1-propan-2-ylpyrazol-3-yl)acetamide
CID 114115113
methyl 1-amino-3-phenylpyrrole-2-carboxylate
CID 90386150
(1-propan-2-ylpyrazol-3-yl)methyl 3-amino-4-methylbenzoate
CID 64772306
methyl 1-propan-2-ylpyrazole-4-carboxylate
CID 55291716
ethane;ethyl 2-amino-4-phenyl-5-(1-propan-2-ylpyrazol-3-yl)thiophene-3-carboxylate
CID 164601237

Frequently Asked Questions

What is the IUPAC name of methyl 1-amino-3-methyl-4-(1-propan-2-ylpyrazol-3-yl)pyrrole-2-carboxylate?
The IUPAC name of methyl 1-amino-3-methyl-4-(1-propan-2-ylpyrazol-3-yl)pyrrole-2-carboxylate (CID 169237423) is methyl 1-amino-3-methyl-4-(1-propan-2-ylpyrazol-3-yl)pyrrole-2-carboxylate.
What is the SMILES notation for methyl 1-amino-3-methyl-4-(1-propan-2-ylpyrazol-3-yl)pyrrole-2-carboxylate?
The canonical SMILES for methyl 1-amino-3-methyl-4-(1-propan-2-ylpyrazol-3-yl)pyrrole-2-carboxylate is COC(=O)c1c(C)c(-c2ccn(C(C)C)n2)cn1N.
What is the InChIKey of methyl 1-amino-3-methyl-4-(1-propan-2-ylpyrazol-3-yl)pyrrole-2-carboxylate?
The InChIKey is JDMBJLAIJKOZBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-8(2)17-6-5-11(15-17)10-7-16(14)12(9(10)3)13(18)19-4/h5-8H,14H2,1-4H3.
What are the key properties of methyl 1-amino-3-methyl-4-(1-propan-2-ylpyrazol-3-yl)pyrrole-2-carboxylate?
methyl 1-amino-3-methyl-4-(1-propan-2-ylpyrazol-3-yl)pyrrole-2-carboxylate has a molecular weight of 262.31 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-amino-3-methyl-4-(1-propan-2-ylpyrazol-3-yl)pyrrole-2-carboxylate is sourced from PubChem (CID 169237423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).