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

C13H21N3O2 — CID 55241149

IUPAC5-(cycloheptylamino)-1,3-dimethylpyrazole-4-carboxylic acid
SMILESCc1nn(C)c(NC2CCCCCC2)c1C(=O)O
InChIInChI=1S/C13H21N3O2/c1-9-11(13(17)18)12(16(2)15-9)14-10-7-5-3-4-6-8-10/h10,14H,3-8H2,1-2H3,(H,17,18)
InChIKeyFPGBPDHACIXPTJ-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.56
Rot. Bonds3

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

5-(cycloheptylamino)-1,3-dimethylpyrazole-4-carboxylic acid (PubChem CID 55241149) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 5-(cycloheptylamino)-1,3-dimethylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(cycloheptylamino)-1,3-dimethylpyrazole-4-carboxylic acid
PubChem CID55241149
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name5-(cycloheptylamino)-1,3-dimethylpyrazole-4-carboxylic acid
SMILESCc1nn(C)c(NC2CCCCCC2)c1C(=O)O
InChIInChI=1S/C13H21N3O2/c1-9-11(13(17)18)12(16(2)15-9)14-10-7-5-3-4-6-8-10/h10,14H,3-8H2,1-2H3,(H,17,18)
InChIKeyFPGBPDHACIXPTJ-UHFFFAOYSA-N
XLogP2.56
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-dimethyl-5-[(1-methylpiperidin-3-yl)amino]pyrazole-4-carboxylic acid
CID 55242499
5-(cycloheptylamino)-1,3-dimethylpyrazole-4-carbothioamide
CID 63758420
5-N-cycloheptyl-1,3-dimethylpyrazole-4,5-diamine
CID 43554231
4-(aminomethyl)-N-cyclopentyl-1,3-dimethylpyrazol-5-amine
CID 63758557
5-[(3-ethyl-2-methylcyclopentyl)amino]-1,3-dimethylpyrazole-4-carboxylic acid
CID 64915656
1,3-dimethyl-5-[(3-methyloxan-4-yl)amino]pyrazole-4-carboxylic acid
CID 114241514
N-cyclododecyl-1,3,5-trimethylpyrazol-4-amine
CID 28515838
5-[[1-(hydroxymethyl)cyclohexyl]methylamino]-1,3-dimethylpyrazole-4-carboxylic acid
CID 103968377
1,3-dimethyl-5-[(3-methylcyclohexyl)amino]pyrazole-4-carbothioamide
CID 63756865
5-(1-cyclopropylbutan-2-ylamino)-1,3-dimethylpyrazole-4-carboxylic acid
CID 63995405
5-(2-aminopropanoylamino)-1,3-dimethylpyrazole-4-carboxylic acid
CID 110478911
1,3-dimethyl-5-(prop-2-ynylamino)pyrazole-4-carboxylic acid
CID 63758259

Frequently Asked Questions

What is the IUPAC name of 5-(cycloheptylamino)-1,3-dimethylpyrazole-4-carboxylic acid?
The IUPAC name of 5-(cycloheptylamino)-1,3-dimethylpyrazole-4-carboxylic acid (CID 55241149) is 5-(cycloheptylamino)-1,3-dimethylpyrazole-4-carboxylic acid.
What is the SMILES notation for 5-(cycloheptylamino)-1,3-dimethylpyrazole-4-carboxylic acid?
The canonical SMILES for 5-(cycloheptylamino)-1,3-dimethylpyrazole-4-carboxylic acid is Cc1nn(C)c(NC2CCCCCC2)c1C(=O)O.
What is the InChIKey of 5-(cycloheptylamino)-1,3-dimethylpyrazole-4-carboxylic acid?
The InChIKey is FPGBPDHACIXPTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-9-11(13(17)18)12(16(2)15-9)14-10-7-5-3-4-6-8-10/h10,14H,3-8H2,1-2H3,(H,17,18).
What are the key properties of 5-(cycloheptylamino)-1,3-dimethylpyrazole-4-carboxylic acid?
5-(cycloheptylamino)-1,3-dimethylpyrazole-4-carboxylic acid has a molecular weight of 251.33 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cycloheptylamino)-1,3-dimethylpyrazole-4-carboxylic acid is sourced from PubChem (CID 55241149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).