N-[4-(N'-hydroxycarbamimidoyl)-1-methylpyrazol-5-yl]-2-methoxy-2-methylpropanamide

C10H17N5O3 — CID 136993121

IUPACN-[4-(N'-hydroxycarbamimidoyl)-1-methylpyrazol-5-yl]-2-methoxy-2-methylpropanamide
SMILESCOC(C)(C)C(=O)Nc1c(C(N)=NO)cnn1C
InChIInChI=1S/C10H17N5O3/c1-10(2,18-4)9(16)13-8-6(7(11)14-17)5-12-15(8)3/h5,17H,1-4H3,(H2,11,14)(H,13,16)
InChIKeyGJTWJMNSCITBII-UHFFFAOYSA-N
MW255.28 g/mol
LogP-0.12
Rot. Bonds4

About N-[4-(N'-hydroxycarbamimidoyl)-1-methylpyrazol-5-yl]-2-methoxy-2-methylpropanamide

N-[4-(N'-hydroxycarbamimidoyl)-1-methylpyrazol-5-yl]-2-methoxy-2-methylpropanamide (PubChem CID 136993121) has the molecular formula C10H17N5O3 and a molecular weight of 255.28 g/mol. Its IUPAC name is N-[4-(N'-hydroxycarbamimidoyl)-1-methylpyrazol-5-yl]-2-methoxy-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-(N'-hydroxycarbamimidoyl)-1-methylpyrazol-5-yl]-2-methoxy-2-methylpropanamide
PubChem CID136993121
Molecular FormulaC10H17N5O3
Molecular Weight255.28 g/mol
Exact Mass255.13
IUPAC NameN-[4-(N'-hydroxycarbamimidoyl)-1-methylpyrazol-5-yl]-2-methoxy-2-methylpropanamide
SMILESCOC(C)(C)C(=O)Nc1c(C(N)=NO)cnn1C
InChIInChI=1S/C10H17N5O3/c1-10(2,18-4)9(16)13-8-6(7(11)14-17)5-12-15(8)3/h5,17H,1-4H3,(H2,11,14)(H,13,16)
InChIKeyGJTWJMNSCITBII-UHFFFAOYSA-N
XLogP-0.12
TPSA114.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 5-0.12
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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Frequently Asked Questions

What is the IUPAC name of N-[4-(N'-hydroxycarbamimidoyl)-1-methylpyrazol-5-yl]-2-methoxy-2-methylpropanamide?
The IUPAC name of N-[4-(N'-hydroxycarbamimidoyl)-1-methylpyrazol-5-yl]-2-methoxy-2-methylpropanamide (CID 136993121) is N-[4-(N'-hydroxycarbamimidoyl)-1-methylpyrazol-5-yl]-2-methoxy-2-methylpropanamide.
What is the SMILES notation for N-[4-(N'-hydroxycarbamimidoyl)-1-methylpyrazol-5-yl]-2-methoxy-2-methylpropanamide?
The canonical SMILES for N-[4-(N'-hydroxycarbamimidoyl)-1-methylpyrazol-5-yl]-2-methoxy-2-methylpropanamide is COC(C)(C)C(=O)Nc1c(C(N)=NO)cnn1C.
What is the InChIKey of N-[4-(N'-hydroxycarbamimidoyl)-1-methylpyrazol-5-yl]-2-methoxy-2-methylpropanamide?
The InChIKey is GJTWJMNSCITBII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O3/c1-10(2,18-4)9(16)13-8-6(7(11)14-17)5-12-15(8)3/h5,17H,1-4H3,(H2,11,14)(H,13,16).
What are the key properties of N-[4-(N'-hydroxycarbamimidoyl)-1-methylpyrazol-5-yl]-2-methoxy-2-methylpropanamide?
N-[4-(N'-hydroxycarbamimidoyl)-1-methylpyrazol-5-yl]-2-methoxy-2-methylpropanamide has a molecular weight of 255.28 g/mol, XLogP of -0.12, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(N'-hydroxycarbamimidoyl)-1-methylpyrazol-5-yl]-2-methoxy-2-methylpropanamide is sourced from PubChem (CID 136993121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).