5-amino-1-tert-butyl-4-cyclohexylpyrazole-3-carboxylic acid

C14H23N3O2 — CID 117246718

IUPAC5-amino-1-tert-butyl-4-cyclohexylpyrazole-3-carboxylic acid
SMILESCC(C)(C)n1nc(C(=O)O)c(C2CCCCC2)c1N
InChIInChI=1S/C14H23N3O2/c1-14(2,3)17-12(15)10(11(16-17)13(18)19)9-7-5-4-6-8-9/h9H,4-8,15H2,1-3H3,(H,18,19)
InChIKeySYGZGCVHUMJWEK-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.97
Rot. Bonds2

About 5-amino-1-tert-butyl-4-cyclohexylpyrazole-3-carboxylic acid

5-amino-1-tert-butyl-4-cyclohexylpyrazole-3-carboxylic acid (PubChem CID 117246718) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 5-amino-1-tert-butyl-4-cyclohexylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-amino-1-tert-butyl-4-cyclohexylpyrazole-3-carboxylic acid
PubChem CID117246718
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name5-amino-1-tert-butyl-4-cyclohexylpyrazole-3-carboxylic acid
SMILESCC(C)(C)n1nc(C(=O)O)c(C2CCCCC2)c1N
InChIInChI=1S/C14H23N3O2/c1-14(2,3)17-12(15)10(11(16-17)13(18)19)9-7-5-4-6-8-9/h9H,4-8,15H2,1-3H3,(H,18,19)
InChIKeySYGZGCVHUMJWEK-UHFFFAOYSA-N
XLogP2.97
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-Amino-4-cyclopropyl-1-(trifluoromethyl)pyrazole-3-carboxylic acid
CID 105495689
5-Amino-4-propan-2-yl-1-(trifluoromethyl)pyrazole-3-carboxylic acid
CID 105498750
5-Amino-4-cyclobutyl-1-(trifluoromethyl)pyrazole-3-carboxylic acid
CID 105508287
5-Amino-4-cyclopentyl-1-(trifluoromethyl)pyrazole-3-carboxylic acid
CID 105514789
Methyl 5-amino-4-cyclopentyl-1-(trifluoromethyl)pyrazole-3-carboxylate
CID 105520487
5-Amino-4-cyclohexyl-1-(trifluoromethyl)pyrazole-3-carboxylic acid
CID 105520489
5-Amino-4-piperidin-4-yl-1-(trifluoromethyl)pyrazole-3-carboxylic acid
CID 105520787
5-Amino-4-(oxan-4-yl)-1-(trifluoromethyl)pyrazole-3-carboxylic acid
CID 105521243
Methyl 5-amino-4-cyclohexyl-1-(trifluoromethyl)pyrazole-3-carboxylate
CID 105526523
5-Amino-4-cycloheptyl-1-(trifluoromethyl)pyrazole-3-carboxylic acid
CID 105526525
5-Amino-4-(1-methylpiperidin-4-yl)-1-(trifluoromethyl)pyrazole-3-carboxylic acid
CID 105526974
methyl 5-amino-4-cyclopentyl-1-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxylate
CID 165475378

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-tert-butyl-4-cyclohexylpyrazole-3-carboxylic acid?
The IUPAC name of 5-amino-1-tert-butyl-4-cyclohexylpyrazole-3-carboxylic acid (CID 117246718) is 5-amino-1-tert-butyl-4-cyclohexylpyrazole-3-carboxylic acid.
What is the SMILES notation for 5-amino-1-tert-butyl-4-cyclohexylpyrazole-3-carboxylic acid?
The canonical SMILES for 5-amino-1-tert-butyl-4-cyclohexylpyrazole-3-carboxylic acid is CC(C)(C)n1nc(C(=O)O)c(C2CCCCC2)c1N.
What is the InChIKey of 5-amino-1-tert-butyl-4-cyclohexylpyrazole-3-carboxylic acid?
The InChIKey is SYGZGCVHUMJWEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-14(2,3)17-12(15)10(11(16-17)13(18)19)9-7-5-4-6-8-9/h9H,4-8,15H2,1-3H3,(H,18,19).
What are the key properties of 5-amino-1-tert-butyl-4-cyclohexylpyrazole-3-carboxylic acid?
5-amino-1-tert-butyl-4-cyclohexylpyrazole-3-carboxylic acid has a molecular weight of 265.36 g/mol, XLogP of 2.97, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-tert-butyl-4-cyclohexylpyrazole-3-carboxylic acid is sourced from PubChem (CID 117246718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).