5-amino-N-cyclohexyl-1-[4-(methylperoxymethyl)phenyl]pyrazole-4-carboxamide

C18H24N4O3 — CID 88902817

IUPAC5-amino-N-cyclohexyl-1-[4-(methylperoxymethyl)phenyl]pyrazole-4-carboxamide
SMILESCOOCc1ccc(-n2ncc(C(=O)NC3CCCCC3)c2N)cc1
InChIInChI=1S/C18H24N4O3/c1-24-25-12-13-7-9-15(10-8-13)22-17(19)16(11-20-22)18(23)21-14-5-3-2-4-6-14/h7-11,14H,2-6,12,19H2,1H3,(H,21,23)
InChIKeyIOULIPHADWVZKU-UHFFFAOYSA-N
MW344.42 g/mol
LogP2.60
Rot. Bonds6

About 5-amino-N-cyclohexyl-1-[4-(methylperoxymethyl)phenyl]pyrazole-4-carboxamide

5-amino-N-cyclohexyl-1-[4-(methylperoxymethyl)phenyl]pyrazole-4-carboxamide (PubChem CID 88902817) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is 5-amino-N-cyclohexyl-1-[4-(methylperoxymethyl)phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-cyclohexyl-1-[4-(methylperoxymethyl)phenyl]pyrazole-4-carboxamide
PubChem CID88902817
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name5-amino-N-cyclohexyl-1-[4-(methylperoxymethyl)phenyl]pyrazole-4-carboxamide
SMILESCOOCc1ccc(-n2ncc(C(=O)NC3CCCCC3)c2N)cc1
InChIInChI=1S/C18H24N4O3/c1-24-25-12-13-7-9-15(10-8-13)22-17(19)16(11-20-22)18(23)21-14-5-3-2-4-6-14/h7-11,14H,2-6,12,19H2,1H3,(H,21,23)
InChIKeyIOULIPHADWVZKU-UHFFFAOYSA-N
XLogP2.60
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

5-amino-N-cyclohexyl-1-[3-(methylperoxymethyl)phenyl]pyrazole-4-carboxamide
CID 88961048
methyl 2-[4-[4-(cyclohexylcarbamoyl)-5-propylsulfanylpyrazol-1-yl]phenyl]acetate
CID 59516070
1-(4-bromophenyl)-N-cycloheptyl-5-methylpyrazole-4-carboxamide
CID 31942281
5-chloro-N-cyclohexyl-1-(4-methylphenyl)pyrazole-4-carboxamide
CID 58433770
[4-[5-chloro-4-(cyclohexylcarbamoyl)pyrazol-1-yl]phenyl] acetate
CID 59516109
N-cyclohexyl-1-(4-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20918586
5-amino-1-phenyl-N-propan-2-ylpyrazole-4-carboxamide
CID 14118804
ethyl 1-[4-[[4-(cyclopentylcarbamoyl)phenyl]carbamoyl]phenyl]-5-methylpyrazole-4-carboxylate
CID 55894730
N-(4-aminocyclohexyl)-1-(4-bromophenyl)-5-methylpyrazole-4-carboxamide
CID 119476425
5-amino-N-[[4-(3-cyclohexylpropylcarbamoyl)phenyl]methyl]-1-phenylpyrazole-4-carboxamide
CID 139030333
1-(4-bromophenyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-5-methylpyrazole-4-carboxamide
CID 55959425
5-amino-N-(4-ethylcyclohexyl)-1-methylpyrazole-4-carboxamide
CID 115330542

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-cyclohexyl-1-[4-(methylperoxymethyl)phenyl]pyrazole-4-carboxamide?
The IUPAC name of 5-amino-N-cyclohexyl-1-[4-(methylperoxymethyl)phenyl]pyrazole-4-carboxamide (CID 88902817) is 5-amino-N-cyclohexyl-1-[4-(methylperoxymethyl)phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-cyclohexyl-1-[4-(methylperoxymethyl)phenyl]pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-N-cyclohexyl-1-[4-(methylperoxymethyl)phenyl]pyrazole-4-carboxamide is COOCc1ccc(-n2ncc(C(=O)NC3CCCCC3)c2N)cc1.
What is the InChIKey of 5-amino-N-cyclohexyl-1-[4-(methylperoxymethyl)phenyl]pyrazole-4-carboxamide?
The InChIKey is IOULIPHADWVZKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-24-25-12-13-7-9-15(10-8-13)22-17(19)16(11-20-22)18(23)21-14-5-3-2-4-6-14/h7-11,14H,2-6,12,19H2,1H3,(H,21,23).
What are the key properties of 5-amino-N-cyclohexyl-1-[4-(methylperoxymethyl)phenyl]pyrazole-4-carboxamide?
5-amino-N-cyclohexyl-1-[4-(methylperoxymethyl)phenyl]pyrazole-4-carboxamide has a molecular weight of 344.42 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-cyclohexyl-1-[4-(methylperoxymethyl)phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 88902817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).