1H-pyrazole-5-carboxylic acid;1,3,5-trimethylpyrazole

C10H14N4O2 — CID 68956429

IUPAC1H-pyrazole-5-carboxylic acid;1,3,5-trimethylpyrazole
SMILESCc1cc(C)n(C)n1.O=C(O)c1ccn[nH]1
InChIInChI=1S/C6H10N2.C4H4N2O2/c1-5-4-6(2)8(3)7-5;7-4(8)3-1-2-5-6-3/h4H,1-3H3;1-2H,(H,5,6)(H,7,8)
InChIKeyXUMDDNKOMRPVMY-UHFFFAOYSA-N
MW222.25 g/mol
LogP1.14
Rot. Bonds1

About 1H-pyrazole-5-carboxylic acid;1,3,5-trimethylpyrazole

1H-pyrazole-5-carboxylic acid;1,3,5-trimethylpyrazole (PubChem CID 68956429) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is 1H-pyrazole-5-carboxylic acid;1,3,5-trimethylpyrazole.

Molecular Properties

Compound Name1H-pyrazole-5-carboxylic acid;1,3,5-trimethylpyrazole
PubChem CID68956429
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC Name1H-pyrazole-5-carboxylic acid;1,3,5-trimethylpyrazole
SMILESCc1cc(C)n(C)n1.O=C(O)c1ccn[nH]1
InChIInChI=1S/C6H10N2.C4H4N2O2/c1-5-4-6(2)8(3)7-5;7-4(8)3-1-2-5-6-3/h4H,1-3H3;1-2H,(H,5,6)(H,7,8)
InChIKeyXUMDDNKOMRPVMY-UHFFFAOYSA-N
XLogP1.14
TPSA83.80 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 ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(1H-pyrazol-1-yl)ethyl]-1H-pyrazole-3-carboxylic acid
CID 64448496
1-((5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)methyl)-1H-pyrazole-3-carboxylic acid
CID 19618541
Pyrazolate copper
CID 129681528
2-ethyl-5-(trifluoromethyl)pyrazole-3-carboxylic acid;5-(trifluoromethyl)-1H-pyrazole
CID 159276550
Palladium(II) pyrazolate
CID 129693281
Cobalt diazolate
CID 129731403
Nickel pyrazolate
CID 129731406
ZINC bis(pyrazolate)
CID 141485018
Cadmium(II) pyrazolate
CID 156579853
1,1'-(Butane-1,4-diyl)bis(5-methyl-pyrazole-3-carboxylic acid)
CID 156587705
1,1'-(Propane-1,3-diyl)bis(5-methyl-1h-pyrazole-3-carboxylic acid)
CID 169408616
1-[3-[3-[5-Methyl-3-(trifluoromethyl)pyrazol-1-yl]propylamino]-3-oxopropyl]pyrazole-3-carboxylic acid
CID 19470709

Frequently Asked Questions

What is the IUPAC name of 1H-pyrazole-5-carboxylic acid;1,3,5-trimethylpyrazole?
The IUPAC name of 1H-pyrazole-5-carboxylic acid;1,3,5-trimethylpyrazole (CID 68956429) is 1H-pyrazole-5-carboxylic acid;1,3,5-trimethylpyrazole.
What is the SMILES notation for 1H-pyrazole-5-carboxylic acid;1,3,5-trimethylpyrazole?
The canonical SMILES for 1H-pyrazole-5-carboxylic acid;1,3,5-trimethylpyrazole is Cc1cc(C)n(C)n1.O=C(O)c1ccn[nH]1.
What is the InChIKey of 1H-pyrazole-5-carboxylic acid;1,3,5-trimethylpyrazole?
The InChIKey is XUMDDNKOMRPVMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2.C4H4N2O2/c1-5-4-6(2)8(3)7-5;7-4(8)3-1-2-5-6-3/h4H,1-3H3;1-2H,(H,5,6)(H,7,8).
What are the key properties of 1H-pyrazole-5-carboxylic acid;1,3,5-trimethylpyrazole?
1H-pyrazole-5-carboxylic acid;1,3,5-trimethylpyrazole has a molecular weight of 222.25 g/mol, XLogP of 1.14, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrazole-5-carboxylic acid;1,3,5-trimethylpyrazole is sourced from PubChem (CID 68956429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).