2-ethyl-N-[4-[(Z)-N'-hydroxycarbamimidoyl]-1-methylpyrazol-5-yl]furan-3-carboxamide

C12H15N5O3 — CID 136886197

IUPAC2-ethyl-N-[4-[(Z)-N'-hydroxycarbamimidoyl]-1-methylpyrazol-5-yl]furan-3-carboxamide
SMILESCCc1occc1C(=O)Nc1c(/C(N)=N/O)cnn1C
InChIInChI=1S/C12H15N5O3/c1-3-9-7(4-5-20-9)12(18)15-11-8(10(13)16-19)6-14-17(11)2/h4-6,19H,3H2,1-2H3,(H2,13,16)(H,15,18)
InChIKeyKMKMQXRHHNIENI-UHFFFAOYSA-N
MW277.28 g/mol
LogP0.92
Rot. Bonds4

About 2-ethyl-N-[4-[(Z)-N'-hydroxycarbamimidoyl]-1-methylpyrazol-5-yl]furan-3-carboxamide

2-ethyl-N-[4-[(Z)-N'-hydroxycarbamimidoyl]-1-methylpyrazol-5-yl]furan-3-carboxamide (PubChem CID 136886197) has the molecular formula C12H15N5O3 and a molecular weight of 277.28 g/mol. Its IUPAC name is 2-ethyl-N-[4-[(Z)-N'-hydroxycarbamimidoyl]-1-methylpyrazol-5-yl]furan-3-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-[4-[(Z)-N'-hydroxycarbamimidoyl]-1-methylpyrazol-5-yl]furan-3-carboxamide
PubChem CID136886197
Molecular FormulaC12H15N5O3
Molecular Weight277.28 g/mol
Exact Mass277.12
IUPAC Name2-ethyl-N-[4-[(Z)-N'-hydroxycarbamimidoyl]-1-methylpyrazol-5-yl]furan-3-carboxamide
SMILESCCc1occc1C(=O)Nc1c(/C(N)=N/O)cnn1C
InChIInChI=1S/C12H15N5O3/c1-3-9-7(4-5-20-9)12(18)15-11-8(10(13)16-19)6-14-17(11)2/h4-6,19H,3H2,1-2H3,(H2,13,16)(H,15,18)
InChIKeyKMKMQXRHHNIENI-UHFFFAOYSA-N
XLogP0.92
TPSA118.67 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 50.92
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

3,5-dibromo-N-[4-[(Z)-N'-hydroxycarbamimidoyl]-1-methylpyrazol-5-yl]benzamide
CID 136704074
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
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-carbamothioyl-1-methylpyrazol-5-yl)-3-methylfuran-2-carboxamide
CID 79499856
N'-hydroxy-1-methyl-5-(propylsulfonylamino)pyrazole-4-carboximidamide
CID 137296099
N-[(3Z)-3-amino-3-hydroxyimino-2,2-dimethylpropyl]-2-ethylfuran-3-carboxamide
CID 114103840
N-[4-(N'-hydroxycarbamimidoyl)-1-methylpyrazol-5-yl]-2-methylcyclopentane-1-carboxamide
CID 136862283
ethyl N-[[4-(N'-hydroxycarbamimidoyl)-1-methylpyrazol-5-yl]sulfamoyl]carbamate
CID 136827551
2-ethyl-N-[4-(hydroxymethyl)phenyl]furan-3-carboxamide
CID 114103175

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[4-[(Z)-N'-hydroxycarbamimidoyl]-1-methylpyrazol-5-yl]furan-3-carboxamide?
The IUPAC name of 2-ethyl-N-[4-[(Z)-N'-hydroxycarbamimidoyl]-1-methylpyrazol-5-yl]furan-3-carboxamide (CID 136886197) is 2-ethyl-N-[4-[(Z)-N'-hydroxycarbamimidoyl]-1-methylpyrazol-5-yl]furan-3-carboxamide.
What is the SMILES notation for 2-ethyl-N-[4-[(Z)-N'-hydroxycarbamimidoyl]-1-methylpyrazol-5-yl]furan-3-carboxamide?
The canonical SMILES for 2-ethyl-N-[4-[(Z)-N'-hydroxycarbamimidoyl]-1-methylpyrazol-5-yl]furan-3-carboxamide is CCc1occc1C(=O)Nc1c(/C(N)=N/O)cnn1C.
What is the InChIKey of 2-ethyl-N-[4-[(Z)-N'-hydroxycarbamimidoyl]-1-methylpyrazol-5-yl]furan-3-carboxamide?
The InChIKey is KMKMQXRHHNIENI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O3/c1-3-9-7(4-5-20-9)12(18)15-11-8(10(13)16-19)6-14-17(11)2/h4-6,19H,3H2,1-2H3,(H2,13,16)(H,15,18).
What are the key properties of 2-ethyl-N-[4-[(Z)-N'-hydroxycarbamimidoyl]-1-methylpyrazol-5-yl]furan-3-carboxamide?
2-ethyl-N-[4-[(Z)-N'-hydroxycarbamimidoyl]-1-methylpyrazol-5-yl]furan-3-carboxamide has a molecular weight of 277.28 g/mol, XLogP of 0.92, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[4-[(Z)-N'-hydroxycarbamimidoyl]-1-methylpyrazol-5-yl]furan-3-carboxamide is sourced from PubChem (CID 136886197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).