methyl 3-[(5-ethenyl-1H-pyrazol-3-yl)amino]-1-methylpyrazole-5-carboxylate

C11H13N5O2 — CID 178102891

IUPACmethyl 3-[(5-ethenyl-1H-pyrazol-3-yl)amino]-1-methylpyrazole-5-carboxylate
SMILESC=Cc1cc(Nc2cc(C(=O)OC)n(C)n2)n[nH]1
InChIInChI=1S/C11H13N5O2/c1-4-7-5-9(14-13-7)12-10-6-8(11(17)18-3)16(2)15-10/h4-6H,1H2,2-3H3,(H2,12,13,14,15)
InChIKeyRITAOMKBABBNNE-UHFFFAOYSA-N
MW247.26 g/mol
LogP1.32
Rot. Bonds4

About methyl 3-[(5-ethenyl-1H-pyrazol-3-yl)amino]-1-methylpyrazole-5-carboxylate

methyl 3-[(5-ethenyl-1H-pyrazol-3-yl)amino]-1-methylpyrazole-5-carboxylate (PubChem CID 178102891) has the molecular formula C11H13N5O2 and a molecular weight of 247.26 g/mol. Its IUPAC name is methyl 3-[(5-ethenyl-1H-pyrazol-3-yl)amino]-1-methylpyrazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(5-ethenyl-1H-pyrazol-3-yl)amino]-1-methylpyrazole-5-carboxylate
PubChem CID178102891
Molecular FormulaC11H13N5O2
Molecular Weight247.26 g/mol
Exact Mass247.11
IUPAC Namemethyl 3-[(5-ethenyl-1H-pyrazol-3-yl)amino]-1-methylpyrazole-5-carboxylate
SMILESC=Cc1cc(Nc2cc(C(=O)OC)n(C)n2)n[nH]1
InChIInChI=1S/C11H13N5O2/c1-4-7-5-9(14-13-7)12-10-6-8(11(17)18-3)16(2)15-10/h4-6H,1H2,2-3H3,(H2,12,13,14,15)
InChIKeyRITAOMKBABBNNE-UHFFFAOYSA-N
XLogP1.32
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 3-[(5-ethenyl-1H-pyrazol-3-yl)amino]-1-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

methyl 1-methyl-3-propan-2-ylpyrazole-5-carboxylate
CID 25248219
methyl 1-methyl-3-(2-oxoethyl)pyrazole-5-carboxylate
CID 164718842
methyl 1-methyl-3-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]pyrazole-5-carboxylate
CID 166330492
methyl 3-ethenyltriazole-4-carboxylate
CID 45090154
methyl 3-[(4-fluorophenyl)carbamoyl]-1-methylpyrazole-5-carboxylate
CID 5303442
methyl 3-(cyclopropylmethoxy)-1-methylpyrazole-5-carboxylate
CID 146278831
methyl 3-cyclohexa-2,4-dien-1-yl-1-methylpyrazole-5-carboxylate
CID 143614842
methyl 3-[[4-(4-chlorophenoxy)phenyl]sulfonylamino]-1-methylpyrazole-5-carboxylate
CID 166330541
3-O-benzyl 5-O-methyl 1-methylpyrazole-3,5-dicarboxylate
CID 10956696
methyl 1-methyl-3-[[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]sulfonylamino]pyrazole-5-carboxylate
CID 166330537
methyl 3-(6-tert-butylsulfonyl-7-methoxyimidazo[1,2-a]pyridin-3-yl)-1-methylpyrazole-5-carboxylate
CID 172630977
ethyl 3-(2-bromoprop-2-enoylamino)-1-methylpyrazole-5-carboxylate
CID 54181653

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(5-ethenyl-1H-pyrazol-3-yl)amino]-1-methylpyrazole-5-carboxylate?
The IUPAC name of methyl 3-[(5-ethenyl-1H-pyrazol-3-yl)amino]-1-methylpyrazole-5-carboxylate (CID 178102891) is methyl 3-[(5-ethenyl-1H-pyrazol-3-yl)amino]-1-methylpyrazole-5-carboxylate.
What is the SMILES notation for methyl 3-[(5-ethenyl-1H-pyrazol-3-yl)amino]-1-methylpyrazole-5-carboxylate?
The canonical SMILES for methyl 3-[(5-ethenyl-1H-pyrazol-3-yl)amino]-1-methylpyrazole-5-carboxylate is C=Cc1cc(Nc2cc(C(=O)OC)n(C)n2)n[nH]1.
What is the InChIKey of methyl 3-[(5-ethenyl-1H-pyrazol-3-yl)amino]-1-methylpyrazole-5-carboxylate?
The InChIKey is RITAOMKBABBNNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2/c1-4-7-5-9(14-13-7)12-10-6-8(11(17)18-3)16(2)15-10/h4-6H,1H2,2-3H3,(H2,12,13,14,15).
What are the key properties of methyl 3-[(5-ethenyl-1H-pyrazol-3-yl)amino]-1-methylpyrazole-5-carboxylate?
methyl 3-[(5-ethenyl-1H-pyrazol-3-yl)amino]-1-methylpyrazole-5-carboxylate has a molecular weight of 247.26 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(5-ethenyl-1H-pyrazol-3-yl)amino]-1-methylpyrazole-5-carboxylate is sourced from PubChem (CID 178102891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).