5-(cyclopropanecarbonylamino)-1,4-dimethylpyrazole-3-carboxylic acid

C10H13N3O3 — CID 102533847

IUPAC5-(cyclopropanecarbonylamino)-1,4-dimethylpyrazole-3-carboxylic acid
SMILESCc1c(C(=O)O)nn(C)c1NC(=O)C1CC1
InChIInChI=1S/C10H13N3O3/c1-5-7(10(15)16)12-13(2)8(5)11-9(14)6-3-4-6/h6H,3-4H2,1-2H3,(H,11,14)(H,15,16)
InChIKeyNUWRDLNLEKGMLA-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.78
Rot. Bonds3

About 5-(cyclopropanecarbonylamino)-1,4-dimethylpyrazole-3-carboxylic acid

5-(cyclopropanecarbonylamino)-1,4-dimethylpyrazole-3-carboxylic acid (PubChem CID 102533847) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 5-(cyclopropanecarbonylamino)-1,4-dimethylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(cyclopropanecarbonylamino)-1,4-dimethylpyrazole-3-carboxylic acid
PubChem CID102533847
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name5-(cyclopropanecarbonylamino)-1,4-dimethylpyrazole-3-carboxylic acid
SMILESCc1c(C(=O)O)nn(C)c1NC(=O)C1CC1
InChIInChI=1S/C10H13N3O3/c1-5-7(10(15)16)12-13(2)8(5)11-9(14)6-3-4-6/h6H,3-4H2,1-2H3,(H,11,14)(H,15,16)
InChIKeyNUWRDLNLEKGMLA-UHFFFAOYSA-N
XLogP0.78
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1,4-dimethyl-5-(2-methylpropanoylamino)pyrazole-3-carboxylic acid
CID 102533846
5-cyclopropyl-1,4-dimethylpyrazole-3-carboxylic acid
CID 105438703
ethane;5-ethyl-1,4-dimethylpyrazole-3-carboxylic acid
CID 170618736
methyl 4-(cyclopentanecarbonylamino)-1,5-dimethylpyrazole-3-carboxylate
CID 75358466
4-amino-N-(1,3,5-trimethylpyrazol-4-yl)cyclohexane-1-carboxamide
CID 61254029
5-[4-(cyclopentanecarbonylamino)-2-(propan-2-ylsulfamoyl)phenoxy]-1,4-dimethylpyrazole-3-carboxylic acid
CID 90488405
1,5-dimethylpyrazole-3,4-dicarboxylic acid
CID 10559376
N-(1,5-dimethylpyrazol-3-yl)cyclopentanecarboxamide
CID 35761222
N-(1-methylpyrazol-3-yl)cyclopropanecarboxamide
CID 19405001
4-tert-butyl-N-(1,3,5-trimethylpyrazol-4-yl)cyclohexane-1-carboxamide
CID 30663515
methyl 4-[[5-(cyclopropanecarbonylamino)-1-methylpyrazole-3-carbonyl]amino]-1,5-dimethylpyrazole-3-carboxylate
CID 95748286
5-amino-1-cyclobutyl-4-methylpyrazole-3-carboxylic acid
CID 105448864

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropanecarbonylamino)-1,4-dimethylpyrazole-3-carboxylic acid?
The IUPAC name of 5-(cyclopropanecarbonylamino)-1,4-dimethylpyrazole-3-carboxylic acid (CID 102533847) is 5-(cyclopropanecarbonylamino)-1,4-dimethylpyrazole-3-carboxylic acid.
What is the SMILES notation for 5-(cyclopropanecarbonylamino)-1,4-dimethylpyrazole-3-carboxylic acid?
The canonical SMILES for 5-(cyclopropanecarbonylamino)-1,4-dimethylpyrazole-3-carboxylic acid is Cc1c(C(=O)O)nn(C)c1NC(=O)C1CC1.
What is the InChIKey of 5-(cyclopropanecarbonylamino)-1,4-dimethylpyrazole-3-carboxylic acid?
The InChIKey is NUWRDLNLEKGMLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c1-5-7(10(15)16)12-13(2)8(5)11-9(14)6-3-4-6/h6H,3-4H2,1-2H3,(H,11,14)(H,15,16).
What are the key properties of 5-(cyclopropanecarbonylamino)-1,4-dimethylpyrazole-3-carboxylic acid?
5-(cyclopropanecarbonylamino)-1,4-dimethylpyrazole-3-carboxylic acid has a molecular weight of 223.23 g/mol, XLogP of 0.78, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropanecarbonylamino)-1,4-dimethylpyrazole-3-carboxylic acid is sourced from PubChem (CID 102533847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).