N-[4-(N'-hydroxycarbamimidoyl)-1-methylpyrazol-5-yl]-2,2-dimethylcyclohexane-1-carboxamide

C14H23N5O2 — CID 136862284

IUPACN-[4-(N'-hydroxycarbamimidoyl)-1-methylpyrazol-5-yl]-2,2-dimethylcyclohexane-1-carboxamide
SMILESCn1ncc(C(N)=NO)c1NC(=O)C1CCCCC1(C)C
InChIInChI=1S/C14H23N5O2/c1-14(2)7-5-4-6-10(14)13(20)17-12-9(11(15)18-21)8-16-19(12)3/h8,10,21H,4-7H2,1-3H3,(H2,15,18)(H,17,20)
InChIKeyVTUPNSXIHJWHEK-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.67
Rot. Bonds3

About N-[4-(N'-hydroxycarbamimidoyl)-1-methylpyrazol-5-yl]-2,2-dimethylcyclohexane-1-carboxamide

N-[4-(N'-hydroxycarbamimidoyl)-1-methylpyrazol-5-yl]-2,2-dimethylcyclohexane-1-carboxamide (PubChem CID 136862284) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is N-[4-(N'-hydroxycarbamimidoyl)-1-methylpyrazol-5-yl]-2,2-dimethylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[4-(N'-hydroxycarbamimidoyl)-1-methylpyrazol-5-yl]-2,2-dimethylcyclohexane-1-carboxamide
PubChem CID136862284
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC NameN-[4-(N'-hydroxycarbamimidoyl)-1-methylpyrazol-5-yl]-2,2-dimethylcyclohexane-1-carboxamide
SMILESCn1ncc(C(N)=NO)c1NC(=O)C1CCCCC1(C)C
InChIInChI=1S/C14H23N5O2/c1-14(2)7-5-4-6-10(14)13(20)17-12-9(11(15)18-21)8-16-19(12)3/h8,10,21H,4-7H2,1-3H3,(H2,15,18)(H,17,20)
InChIKeyVTUPNSXIHJWHEK-UHFFFAOYSA-N
XLogP1.67
TPSA105.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.67
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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Related Compounds

N-[4-(N'-hydroxycarbamimidoyl)-1-methylpyrazol-5-yl]-2-methylcyclopentane-1-carboxamide
CID 136862283
N-[4-[(E)-N'-hydroxycarbamimidoyl]-1-methylpyrazol-5-yl]pyrrolidine-1-carboxamide
CID 137277541
N-[4-(N'-hydroxycarbamimidoyl)-1-methylpyrazol-5-yl]-2-methoxy-2-methylpropanamide
CID 136993121
N-[1-(N'-hydroxycarbamimidoyl)cyclopentyl]-2,2-dimethylcyclohexane-1-carboxamide
CID 107182731
3,5-dibromo-N-[4-[(Z)-N'-hydroxycarbamimidoyl]-1-methylpyrazol-5-yl]benzamide
CID 136704074
N-hydroxy-2,2-dimethylcyclohexane-1-carboxamide
CID 87324456
N-(1-amino-1-hydroxyiminopropan-2-yl)-2,2-dimethylcyclohexane-1-carboxamide
CID 107182713
N-[4-[(2Z)-2-amino-2-hydroxyiminoethyl]phenyl]-2,2-dimethylcyclopentane-1-carboxamide
CID 107182775
5-chloro-N-[4-[(Z)-N'-hydroxycarbamimidoyl]-1-methylpyrazol-5-yl]furan-2-carboxamide
CID 136690600
2,4-dibromo-N-[4-[(Z)-N'-hydroxycarbamimidoyl]-1-methylpyrazol-5-yl]benzamide
CID 136716243
3-hydroxy-N-[4-[(Z)-N'-hydroxycarbamimidoyl]-1-methylpyrazol-5-yl]-4-iodobenzamide
CID 136886198
2-ethyl-N-[4-[(Z)-N'-hydroxycarbamimidoyl]-1-methylpyrazol-5-yl]furan-3-carboxamide
CID 136886197

Frequently Asked Questions

What is the IUPAC name of N-[4-(N'-hydroxycarbamimidoyl)-1-methylpyrazol-5-yl]-2,2-dimethylcyclohexane-1-carboxamide?
The IUPAC name of N-[4-(N'-hydroxycarbamimidoyl)-1-methylpyrazol-5-yl]-2,2-dimethylcyclohexane-1-carboxamide (CID 136862284) is N-[4-(N'-hydroxycarbamimidoyl)-1-methylpyrazol-5-yl]-2,2-dimethylcyclohexane-1-carboxamide.
What is the SMILES notation for N-[4-(N'-hydroxycarbamimidoyl)-1-methylpyrazol-5-yl]-2,2-dimethylcyclohexane-1-carboxamide?
The canonical SMILES for N-[4-(N'-hydroxycarbamimidoyl)-1-methylpyrazol-5-yl]-2,2-dimethylcyclohexane-1-carboxamide is Cn1ncc(C(N)=NO)c1NC(=O)C1CCCCC1(C)C.
What is the InChIKey of N-[4-(N'-hydroxycarbamimidoyl)-1-methylpyrazol-5-yl]-2,2-dimethylcyclohexane-1-carboxamide?
The InChIKey is VTUPNSXIHJWHEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2/c1-14(2)7-5-4-6-10(14)13(20)17-12-9(11(15)18-21)8-16-19(12)3/h8,10,21H,4-7H2,1-3H3,(H2,15,18)(H,17,20).
What are the key properties of N-[4-(N'-hydroxycarbamimidoyl)-1-methylpyrazol-5-yl]-2,2-dimethylcyclohexane-1-carboxamide?
N-[4-(N'-hydroxycarbamimidoyl)-1-methylpyrazol-5-yl]-2,2-dimethylcyclohexane-1-carboxamide has a molecular weight of 293.37 g/mol, XLogP of 1.67, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(N'-hydroxycarbamimidoyl)-1-methylpyrazol-5-yl]-2,2-dimethylcyclohexane-1-carboxamide is sourced from PubChem (CID 136862284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).