1H-pyrazol-5-yl 1,3-dimethylpyrazole-4-carboxylate

C9H10N4O2 — CID 164529326

IUPAC1H-pyrazol-5-yl 1,3-dimethylpyrazole-4-carboxylate
SMILESCc1nn(C)cc1C(=O)Oc1ccn[nH]1
InChIInChI=1S/C9H10N4O2/c1-6-7(5-13(2)12-6)9(14)15-8-3-4-10-11-8/h3-5H,1-2H3,(H,10,11)
InChIKeyFIUNVWOSRIAEPW-UHFFFAOYSA-N
MW206.20 g/mol
LogP0.67
Rot. Bonds2

About 1H-pyrazol-5-yl 1,3-dimethylpyrazole-4-carboxylate

1H-pyrazol-5-yl 1,3-dimethylpyrazole-4-carboxylate (PubChem CID 164529326) has the molecular formula C9H10N4O2 and a molecular weight of 206.20 g/mol. Its IUPAC name is 1H-pyrazol-5-yl 1,3-dimethylpyrazole-4-carboxylate.

Molecular Properties

Compound Name1H-pyrazol-5-yl 1,3-dimethylpyrazole-4-carboxylate
PubChem CID164529326
Molecular FormulaC9H10N4O2
Molecular Weight206.20 g/mol
Exact Mass206.08
IUPAC Name1H-pyrazol-5-yl 1,3-dimethylpyrazole-4-carboxylate
SMILESCc1nn(C)cc1C(=O)Oc1ccn[nH]1
InChIInChI=1S/C9H10N4O2/c1-6-7(5-13(2)12-6)9(14)15-8-3-4-10-11-8/h3-5H,1-2H3,(H,10,11)
InChIKeyFIUNVWOSRIAEPW-UHFFFAOYSA-N
XLogP0.67
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 ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1,3-dimethylpyrazole-4-carboxylate
CID 12654287
1H-pyrazole-5-carboxylic acid;1,3,4-trimethylpyrazole
CID 68957529
1,3-dimethylpyrazole-4-carboxylic acid;ethane
CID 142969611
1H-pyrazol-5-yl N-methylcarbamate
CID 154289167
1,1,1-trifluoropropan-2-yl 1,3-dimethylpyrazole-4-carboxylate
CID 71987383
(3-propan-2-yl-1H-pyrazol-5-yl)methyl 1,3-dimethylpyrazole-4-carboxylate
CID 167939939
2-chloro-1,3-bis(1,3-dimethylpyrazol-4-yl)propane-1,3-dione
CID 19588271
N-(4-ethyl-1H-pyrazol-5-yl)-1,3-dimethylpyrazole-4-carboxamide
CID 103738045
N-(4-fluorophenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 45285306
(1,3-dimethylpyrazol-4-yl)-(2-methyltriazol-4-yl)methanone
CID 130603525
1-(1,3-dimethylpyrazol-4-yl)-3-methylbut-2-en-1-one
CID 102802822
1-(1,3-dimethylpyrazol-4-yl)-2,2-difluoropropan-1-one
CID 130634206

Frequently Asked Questions

What is the IUPAC name of 1H-pyrazol-5-yl 1,3-dimethylpyrazole-4-carboxylate?
The IUPAC name of 1H-pyrazol-5-yl 1,3-dimethylpyrazole-4-carboxylate (CID 164529326) is 1H-pyrazol-5-yl 1,3-dimethylpyrazole-4-carboxylate.
What is the SMILES notation for 1H-pyrazol-5-yl 1,3-dimethylpyrazole-4-carboxylate?
The canonical SMILES for 1H-pyrazol-5-yl 1,3-dimethylpyrazole-4-carboxylate is Cc1nn(C)cc1C(=O)Oc1ccn[nH]1.
What is the InChIKey of 1H-pyrazol-5-yl 1,3-dimethylpyrazole-4-carboxylate?
The InChIKey is FIUNVWOSRIAEPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2/c1-6-7(5-13(2)12-6)9(14)15-8-3-4-10-11-8/h3-5H,1-2H3,(H,10,11).
What are the key properties of 1H-pyrazol-5-yl 1,3-dimethylpyrazole-4-carboxylate?
1H-pyrazol-5-yl 1,3-dimethylpyrazole-4-carboxylate has a molecular weight of 206.20 g/mol, XLogP of 0.67, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrazol-5-yl 1,3-dimethylpyrazole-4-carboxylate is sourced from PubChem (CID 164529326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).