methyl 4-amino-1-[(1-methylpyrazol-3-yl)methyl]pyrrole-2-carboxylate

C11H14N4O2 — CID 82866397

IUPACmethyl 4-amino-1-[(1-methylpyrazol-3-yl)methyl]pyrrole-2-carboxylate
SMILESCOC(=O)c1cc(N)cn1Cc1ccn(C)n1
InChIInChI=1S/C11H14N4O2/c1-14-4-3-9(13-14)7-15-6-8(12)5-10(15)11(16)17-2/h3-6H,7,12H2,1-2H3
InChIKeyBFIGJQUWUNBNJZ-UHFFFAOYSA-N
MW234.26 g/mol
LogP0.64
Rot. Bonds3

About methyl 4-amino-1-[(1-methylpyrazol-3-yl)methyl]pyrrole-2-carboxylate

methyl 4-amino-1-[(1-methylpyrazol-3-yl)methyl]pyrrole-2-carboxylate (PubChem CID 82866397) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is methyl 4-amino-1-[(1-methylpyrazol-3-yl)methyl]pyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-1-[(1-methylpyrazol-3-yl)methyl]pyrrole-2-carboxylate
PubChem CID82866397
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC Namemethyl 4-amino-1-[(1-methylpyrazol-3-yl)methyl]pyrrole-2-carboxylate
SMILESCOC(=O)c1cc(N)cn1Cc1ccn(C)n1
InChIInChI=1S/C11H14N4O2/c1-14-4-3-9(13-14)7-15-6-8(12)5-10(15)11(16)17-2/h3-6H,7,12H2,1-2H3
InChIKeyBFIGJQUWUNBNJZ-UHFFFAOYSA-N
XLogP0.64
TPSA75.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 4-amino-1-[(1-methylpyrazol-3-yl)methyl]pyrrole-2-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

methyl 4-amino-1-[(1-butan-2-ylpyrazol-3-yl)methyl]pyrrole-2-carboxylate
CID 64799579
methyl 4-amino-1-[(4-tert-butylphenyl)methyl]pyrrole-2-carboxylate
CID 61292758
methyl 4-amino-1-(2-propan-2-yloxyethyl)pyrrole-2-carboxylate
CID 61484775
methyl 2-methyl-3-[(1-methylpyrazol-3-yl)methyl]imidazole-4-carboxylate
CID 82869496
ethyl 5-amino-1-[(1-methylpyrazol-3-yl)methyl]imidazole-4-carboxylate
CID 82874465
(1-methylpyrazol-3-yl)methyl 4-amino-1-cyclopropylpyrrole-2-carboxylate
CID 82876097
ethyl 1-[(1-methylpyrazol-3-yl)methyl]pyrrole-2-carboxylate
CID 105422066
methyl 4-amino-1-[(3-cyano-4-methoxyphenyl)methyl]pyrrole-2-carboxylate
CID 65340215
methyl 4-amino-1-[(4-cyano-3-methoxyphenyl)methyl]pyrrole-2-carboxylate
CID 106787924
methyl 4-amino-1-(2-chloroprop-2-enyl)pyrrole-2-carboxylate
CID 165471790
methyl 4-amino-1-(2-butoxyethyl)pyrrole-2-carboxylate
CID 54956397
4-amino-1-cyclopropyl-N-[(1-methylpyrazol-3-yl)methyl]pyrrole-2-carboxamide
CID 82881718

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-1-[(1-methylpyrazol-3-yl)methyl]pyrrole-2-carboxylate?
The IUPAC name of methyl 4-amino-1-[(1-methylpyrazol-3-yl)methyl]pyrrole-2-carboxylate (CID 82866397) is methyl 4-amino-1-[(1-methylpyrazol-3-yl)methyl]pyrrole-2-carboxylate.
What is the SMILES notation for methyl 4-amino-1-[(1-methylpyrazol-3-yl)methyl]pyrrole-2-carboxylate?
The canonical SMILES for methyl 4-amino-1-[(1-methylpyrazol-3-yl)methyl]pyrrole-2-carboxylate is COC(=O)c1cc(N)cn1Cc1ccn(C)n1.
What is the InChIKey of methyl 4-amino-1-[(1-methylpyrazol-3-yl)methyl]pyrrole-2-carboxylate?
The InChIKey is BFIGJQUWUNBNJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2/c1-14-4-3-9(13-14)7-15-6-8(12)5-10(15)11(16)17-2/h3-6H,7,12H2,1-2H3.
What are the key properties of methyl 4-amino-1-[(1-methylpyrazol-3-yl)methyl]pyrrole-2-carboxylate?
methyl 4-amino-1-[(1-methylpyrazol-3-yl)methyl]pyrrole-2-carboxylate has a molecular weight of 234.26 g/mol, XLogP of 0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-1-[(1-methylpyrazol-3-yl)methyl]pyrrole-2-carboxylate is sourced from PubChem (CID 82866397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).