methyl 5-methyl-1H-pyrazole-3-carboxylate;5-methyl-1H-pyrazole

C10H14N4O2 — CID 175285558

IUPACmethyl 5-methyl-1H-pyrazole-3-carboxylate;5-methyl-1H-pyrazole
SMILESCOC(=O)c1cc(C)[nH]n1.Cc1ccn[nH]1
InChIInChI=1S/C6H8N2O2.C4H6N2/c1-4-3-5(8-7-4)6(9)10-2;1-4-2-3-5-6-4/h3H,1-2H3,(H,7,8);2-3H,1H3,(H,5,6)
InChIKeyMKDZJFXJSTWACW-UHFFFAOYSA-N
MW222.25 g/mol
LogP1.22
Rot. Bonds1

About methyl 5-methyl-1H-pyrazole-3-carboxylate;5-methyl-1H-pyrazole

methyl 5-methyl-1H-pyrazole-3-carboxylate;5-methyl-1H-pyrazole (PubChem CID 175285558) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is methyl 5-methyl-1H-pyrazole-3-carboxylate;5-methyl-1H-pyrazole.

Molecular Properties

Compound Namemethyl 5-methyl-1H-pyrazole-3-carboxylate;5-methyl-1H-pyrazole
PubChem CID175285558
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC Namemethyl 5-methyl-1H-pyrazole-3-carboxylate;5-methyl-1H-pyrazole
SMILESCOC(=O)c1cc(C)[nH]n1.Cc1ccn[nH]1
InChIInChI=1S/C6H8N2O2.C4H6N2/c1-4-3-5(8-7-4)6(9)10-2;1-4-2-3-5-6-4/h3H,1-2H3,(H,7,8);2-3H,1H3,(H,5,6)
InChIKeyMKDZJFXJSTWACW-UHFFFAOYSA-N
XLogP1.22
TPSA83.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 5-methyl-1H-pyrazole-3-carboxylate;5-methyl-1H-pyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 5-methyl-1H-pyrazole-3-carboxylate;5-methyl-1H-pyrazole?
The IUPAC name of methyl 5-methyl-1H-pyrazole-3-carboxylate;5-methyl-1H-pyrazole (CID 175285558) is methyl 5-methyl-1H-pyrazole-3-carboxylate;5-methyl-1H-pyrazole.
What is the SMILES notation for methyl 5-methyl-1H-pyrazole-3-carboxylate;5-methyl-1H-pyrazole?
The canonical SMILES for methyl 5-methyl-1H-pyrazole-3-carboxylate;5-methyl-1H-pyrazole is COC(=O)c1cc(C)[nH]n1.Cc1ccn[nH]1.
What is the InChIKey of methyl 5-methyl-1H-pyrazole-3-carboxylate;5-methyl-1H-pyrazole?
The InChIKey is MKDZJFXJSTWACW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2.C4H6N2/c1-4-3-5(8-7-4)6(9)10-2;1-4-2-3-5-6-4/h3H,1-2H3,(H,7,8);2-3H,1H3,(H,5,6).
What are the key properties of methyl 5-methyl-1H-pyrazole-3-carboxylate;5-methyl-1H-pyrazole?
methyl 5-methyl-1H-pyrazole-3-carboxylate;5-methyl-1H-pyrazole has a molecular weight of 222.25 g/mol, XLogP of 1.22, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methyl-1H-pyrazole-3-carboxylate;5-methyl-1H-pyrazole is sourced from PubChem (CID 175285558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).