methyl 3-(1-methylpyrazol-4-yl)-1H-pyrazole-5-carboxylate

C9H10N4O2 — CID 86207960

IUPACmethyl 3-(1-methylpyrazol-4-yl)-1H-pyrazole-5-carboxylate
SMILESCOC(=O)c1cc(-c2cnn(C)c2)n[nH]1
InChIInChI=1S/C9H10N4O2/c1-13-5-6(4-10-13)7-3-8(12-11-7)9(14)15-2/h3-5H,1-2H3,(H,11,12)
InChIKeyDKMJDSURIXVAKP-UHFFFAOYSA-N
MW206.20 g/mol
LogP0.60
Rot. Bonds2

About methyl 3-(1-methylpyrazol-4-yl)-1H-pyrazole-5-carboxylate

methyl 3-(1-methylpyrazol-4-yl)-1H-pyrazole-5-carboxylate (PubChem CID 86207960) has the molecular formula C9H10N4O2 and a molecular weight of 206.20 g/mol. Its IUPAC name is methyl 3-(1-methylpyrazol-4-yl)-1H-pyrazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-(1-methylpyrazol-4-yl)-1H-pyrazole-5-carboxylate
PubChem CID86207960
Molecular FormulaC9H10N4O2
Molecular Weight206.20 g/mol
Exact Mass206.08
IUPAC Namemethyl 3-(1-methylpyrazol-4-yl)-1H-pyrazole-5-carboxylate
SMILESCOC(=O)c1cc(-c2cnn(C)c2)n[nH]1
InChIInChI=1S/C9H10N4O2/c1-13-5-6(4-10-13)7-3-8(12-11-7)9(14)15-2/h3-5H,1-2H3,(H,11,12)
InChIKeyDKMJDSURIXVAKP-UHFFFAOYSA-N
XLogP0.60
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(1-methyl-1H-pyrazol-4-yl)-1H-pyrazole-3-carboxylic acid
CID 3161119
3-(trimethyl-1H-pyrazol-4-yl)-1H-pyrazole-5-carboxylic acid
CID 3163611
3-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)-1H-pyrazole-5-carboxylic acid
CID 3163612
3',5'-dimethyl-1'-(prop-2-en-1-yl)-1H,1'H-[3,4'-bipyrazole]-5-carboxylic acid
CID 6485182
methyl 3',5'-dimethyl-1'-phenyl-1H,1'H-3,4'-bipyrazole-5-carboxylate
CID 1263758
1H-Pyrazole-3-carboxylic acid, 5-methyl-, (5-fluoro-3-pyridinyl)methyl ester
CID 211901
ethyl 3-(1H-pyrrol-3-yl)-1H-pyrazole-5-carboxylate
CID 156009824
ethyl 3-(4-phenyl-1H-pyrrol-3-yl)-1H-pyrazole-5-carboxylate
CID 156010465
ethyl 3-[1-[(4-fluorophenyl)methyl]pyrrol-3-yl]-1H-pyrazole-5-carboxylate
CID 156016872
ethyl 3-[4-phenyl-1-(4-phenylbutyl)pyrrol-3-yl]-1H-pyrazole-5-carboxylate
CID 156019203
ethyl 3-(1-methyl-4-phenylpyrrol-3-yl)-1H-pyrazole-5-carboxylate
CID 156019907
3-(1-butyl-3,5-dimethyl-1H-pyrazol-4-yl)-1H-pyrazole-5-carboxylic acid
CID 3163613

Frequently Asked Questions

What is the IUPAC name of methyl 3-(1-methylpyrazol-4-yl)-1H-pyrazole-5-carboxylate?
The IUPAC name of methyl 3-(1-methylpyrazol-4-yl)-1H-pyrazole-5-carboxylate (CID 86207960) is methyl 3-(1-methylpyrazol-4-yl)-1H-pyrazole-5-carboxylate.
What is the SMILES notation for methyl 3-(1-methylpyrazol-4-yl)-1H-pyrazole-5-carboxylate?
The canonical SMILES for methyl 3-(1-methylpyrazol-4-yl)-1H-pyrazole-5-carboxylate is COC(=O)c1cc(-c2cnn(C)c2)n[nH]1.
What is the InChIKey of methyl 3-(1-methylpyrazol-4-yl)-1H-pyrazole-5-carboxylate?
The InChIKey is DKMJDSURIXVAKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2/c1-13-5-6(4-10-13)7-3-8(12-11-7)9(14)15-2/h3-5H,1-2H3,(H,11,12).
What are the key properties of methyl 3-(1-methylpyrazol-4-yl)-1H-pyrazole-5-carboxylate?
methyl 3-(1-methylpyrazol-4-yl)-1H-pyrazole-5-carboxylate has a molecular weight of 206.20 g/mol, XLogP of 0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(1-methylpyrazol-4-yl)-1H-pyrazole-5-carboxylate is sourced from PubChem (CID 86207960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).