5-chloro-N-[4-[(Z)-N'-hydroxycarbamimidoyl]-1-methylpyrazol-5-yl]furan-2-carboxamide

C10H10ClN5O3 — CID 136690600

IUPAC5-chloro-N-[4-[(Z)-N'-hydroxycarbamimidoyl]-1-methylpyrazol-5-yl]furan-2-carboxamide
SMILESCn1ncc(/C(N)=N/O)c1NC(=O)c1ccc(Cl)o1
InChIInChI=1S/C10H10ClN5O3/c1-16-9(5(4-13-16)8(12)15-18)14-10(17)6-2-3-7(11)19-6/h2-4,18H,1H3,(H2,12,15)(H,14,17)
InChIKeyDVJRRTFBWQPDGQ-UHFFFAOYSA-N
MW283.68 g/mol
LogP1.01
Rot. Bonds3

About 5-chloro-N-[4-[(Z)-N'-hydroxycarbamimidoyl]-1-methylpyrazol-5-yl]furan-2-carboxamide

5-chloro-N-[4-[(Z)-N'-hydroxycarbamimidoyl]-1-methylpyrazol-5-yl]furan-2-carboxamide (PubChem CID 136690600) has the molecular formula C10H10ClN5O3 and a molecular weight of 283.68 g/mol. Its IUPAC name is 5-chloro-N-[4-[(Z)-N'-hydroxycarbamimidoyl]-1-methylpyrazol-5-yl]furan-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[4-[(Z)-N'-hydroxycarbamimidoyl]-1-methylpyrazol-5-yl]furan-2-carboxamide
PubChem CID136690600
Molecular FormulaC10H10ClN5O3
Molecular Weight283.68 g/mol
Exact Mass283.05
IUPAC Name5-chloro-N-[4-[(Z)-N'-hydroxycarbamimidoyl]-1-methylpyrazol-5-yl]furan-2-carboxamide
SMILESCn1ncc(/C(N)=N/O)c1NC(=O)c1ccc(Cl)o1
InChIInChI=1S/C10H10ClN5O3/c1-16-9(5(4-13-16)8(12)15-18)14-10(17)6-2-3-7(11)19-6/h2-4,18H,1H3,(H2,12,15)(H,14,17)
InChIKeyDVJRRTFBWQPDGQ-UHFFFAOYSA-N
XLogP1.01
TPSA118.67 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.68
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

2,4-dibromo-N-[4-[(Z)-N'-hydroxycarbamimidoyl]-1-methylpyrazol-5-yl]benzamide
CID 136716243
3,5-dibromo-N-[4-[(Z)-N'-hydroxycarbamimidoyl]-1-methylpyrazol-5-yl]benzamide
CID 136704074
2-ethyl-N-[4-[(Z)-N'-hydroxycarbamimidoyl]-1-methylpyrazol-5-yl]furan-3-carboxamide
CID 136886197
5-chloro-N-[2-[(Z)-N'-hydroxycarbamimidoyl]-6-methoxyphenyl]furan-2-carboxamide
CID 107469649
3-hydroxy-N-[4-[(Z)-N'-hydroxycarbamimidoyl]-1-methylpyrazol-5-yl]-4-iodobenzamide
CID 136886198
N-[4-(N'-hydroxycarbamimidoyl)-1-methylpyrazol-5-yl]-2-methoxy-2-methylpropanamide
CID 136993121
N-[4-[(E)-N'-hydroxycarbamimidoyl]-1-methylpyrazol-5-yl]pyrrolidine-1-carboxamide
CID 137277541
N-[[4-(N'-hydroxycarbamimidoyl)phenyl]methyl]-1,5-dimethylpyrazole-4-carboxamide
CID 76932662
5-chloro-N-[4-[(Z)-N'-hydroxycarbamimidoyl]-2-methoxyphenyl]furan-2-carboxamide
CID 106689373
N'-hydroxy-1-methyl-5-(propylsulfonylamino)pyrazole-4-carboximidamide
CID 137296099
N-[4-(N'-hydroxycarbamimidoyl)-1-methylpyrazol-5-yl]-2-methylcyclopentane-1-carboxamide
CID 136862283
5-chloro-N-(6-chloropyridazin-3-yl)furan-2-carboxamide
CID 115608607

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-[(Z)-N'-hydroxycarbamimidoyl]-1-methylpyrazol-5-yl]furan-2-carboxamide?
The IUPAC name of 5-chloro-N-[4-[(Z)-N'-hydroxycarbamimidoyl]-1-methylpyrazol-5-yl]furan-2-carboxamide (CID 136690600) is 5-chloro-N-[4-[(Z)-N'-hydroxycarbamimidoyl]-1-methylpyrazol-5-yl]furan-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[4-[(Z)-N'-hydroxycarbamimidoyl]-1-methylpyrazol-5-yl]furan-2-carboxamide?
The canonical SMILES for 5-chloro-N-[4-[(Z)-N'-hydroxycarbamimidoyl]-1-methylpyrazol-5-yl]furan-2-carboxamide is Cn1ncc(/C(N)=N/O)c1NC(=O)c1ccc(Cl)o1.
What is the InChIKey of 5-chloro-N-[4-[(Z)-N'-hydroxycarbamimidoyl]-1-methylpyrazol-5-yl]furan-2-carboxamide?
The InChIKey is DVJRRTFBWQPDGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN5O3/c1-16-9(5(4-13-16)8(12)15-18)14-10(17)6-2-3-7(11)19-6/h2-4,18H,1H3,(H2,12,15)(H,14,17).
What are the key properties of 5-chloro-N-[4-[(Z)-N'-hydroxycarbamimidoyl]-1-methylpyrazol-5-yl]furan-2-carboxamide?
5-chloro-N-[4-[(Z)-N'-hydroxycarbamimidoyl]-1-methylpyrazol-5-yl]furan-2-carboxamide has a molecular weight of 283.68 g/mol, XLogP of 1.01, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[4-[(Z)-N'-hydroxycarbamimidoyl]-1-methylpyrazol-5-yl]furan-2-carboxamide is sourced from PubChem (CID 136690600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).