N-[(2Z)-2-amino-1-cyclohexyl-2-hydroxyiminoethyl]-1,3-dimethylpyrazole-4-carboxamide

C14H23N5O2 — CID 102802127

IUPACN-[(2Z)-2-amino-1-cyclohexyl-2-hydroxyiminoethyl]-1,3-dimethylpyrazole-4-carboxamide
SMILESCc1nn(C)cc1C(=O)NC(/C(N)=N/O)C1CCCCC1
InChIInChI=1S/C14H23N5O2/c1-9-11(8-19(2)17-9)14(20)16-12(13(15)18-21)10-6-4-3-5-7-10/h8,10,12,21H,3-7H2,1-2H3,(H2,15,18)(H,16,20)
InChIKeyGDVWQKNOWHABCW-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.15
Rot. Bonds4

About N-[(2Z)-2-amino-1-cyclohexyl-2-hydroxyiminoethyl]-1,3-dimethylpyrazole-4-carboxamide

N-[(2Z)-2-amino-1-cyclohexyl-2-hydroxyiminoethyl]-1,3-dimethylpyrazole-4-carboxamide (PubChem CID 102802127) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is N-[(2Z)-2-amino-1-cyclohexyl-2-hydroxyiminoethyl]-1,3-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2Z)-2-amino-1-cyclohexyl-2-hydroxyiminoethyl]-1,3-dimethylpyrazole-4-carboxamide
PubChem CID102802127
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC NameN-[(2Z)-2-amino-1-cyclohexyl-2-hydroxyiminoethyl]-1,3-dimethylpyrazole-4-carboxamide
SMILESCc1nn(C)cc1C(=O)NC(/C(N)=N/O)C1CCCCC1
InChIInChI=1S/C14H23N5O2/c1-9-11(8-19(2)17-9)14(20)16-12(13(15)18-21)10-6-4-3-5-7-10/h8,10,12,21H,3-7H2,1-2H3,(H2,15,18)(H,16,20)
InChIKeyGDVWQKNOWHABCW-UHFFFAOYSA-N
XLogP1.15
TPSA105.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2Z)-2-amino-1-cyclohexyl-2-hydroxyiminoethyl]-1,3-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-[(2Z)-2-amino-1-cyclohexyl-2-hydroxyiminoethyl]-1,3-dimethylpyrazole-4-carboxamide (CID 102802127) is N-[(2Z)-2-amino-1-cyclohexyl-2-hydroxyiminoethyl]-1,3-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(2Z)-2-amino-1-cyclohexyl-2-hydroxyiminoethyl]-1,3-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-[(2Z)-2-amino-1-cyclohexyl-2-hydroxyiminoethyl]-1,3-dimethylpyrazole-4-carboxamide is Cc1nn(C)cc1C(=O)NC(/C(N)=N/O)C1CCCCC1.
What is the InChIKey of N-[(2Z)-2-amino-1-cyclohexyl-2-hydroxyiminoethyl]-1,3-dimethylpyrazole-4-carboxamide?
The InChIKey is GDVWQKNOWHABCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2/c1-9-11(8-19(2)17-9)14(20)16-12(13(15)18-21)10-6-4-3-5-7-10/h8,10,12,21H,3-7H2,1-2H3,(H2,15,18)(H,16,20).
What are the key properties of N-[(2Z)-2-amino-1-cyclohexyl-2-hydroxyiminoethyl]-1,3-dimethylpyrazole-4-carboxamide?
N-[(2Z)-2-amino-1-cyclohexyl-2-hydroxyiminoethyl]-1,3-dimethylpyrazole-4-carboxamide has a molecular weight of 293.37 g/mol, XLogP of 1.15, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2Z)-2-amino-1-cyclohexyl-2-hydroxyiminoethyl]-1,3-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 102802127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).