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

C12H19N5O2 — CID 136862283

IUPACN-[4-(N'-hydroxycarbamimidoyl)-1-methylpyrazol-5-yl]-2-methylcyclopentane-1-carboxamide
SMILESCC1CCCC1C(=O)Nc1c(C(N)=NO)cnn1C
InChIInChI=1S/C12H19N5O2/c1-7-4-3-5-8(7)12(18)15-11-9(10(13)16-19)6-14-17(11)2/h6-8,19H,3-5H2,1-2H3,(H2,13,16)(H,15,18)
InChIKeyXJSQTAHFNLFLAE-UHFFFAOYSA-N
MW265.32 g/mol
LogP0.89
Rot. Bonds3

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

N-[4-(N'-hydroxycarbamimidoyl)-1-methylpyrazol-5-yl]-2-methylcyclopentane-1-carboxamide (PubChem CID 136862283) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is N-[4-(N'-hydroxycarbamimidoyl)-1-methylpyrazol-5-yl]-2-methylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[4-(N'-hydroxycarbamimidoyl)-1-methylpyrazol-5-yl]-2-methylcyclopentane-1-carboxamide
PubChem CID136862283
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC NameN-[4-(N'-hydroxycarbamimidoyl)-1-methylpyrazol-5-yl]-2-methylcyclopentane-1-carboxamide
SMILESCC1CCCC1C(=O)Nc1c(C(N)=NO)cnn1C
InChIInChI=1S/C12H19N5O2/c1-7-4-3-5-8(7)12(18)15-11-9(10(13)16-19)6-14-17(11)2/h6-8,19H,3-5H2,1-2H3,(H2,13,16)(H,15,18)
InChIKeyXJSQTAHFNLFLAE-UHFFFAOYSA-N
XLogP0.89
TPSA105.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 50.89
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-[4-(N'-hydroxycarbamimidoyl)-1-methylpyrazol-5-yl]-2-methylcyclopentane-1-carboxamide?
The IUPAC name of N-[4-(N'-hydroxycarbamimidoyl)-1-methylpyrazol-5-yl]-2-methylcyclopentane-1-carboxamide (CID 136862283) is N-[4-(N'-hydroxycarbamimidoyl)-1-methylpyrazol-5-yl]-2-methylcyclopentane-1-carboxamide.
What is the SMILES notation for N-[4-(N'-hydroxycarbamimidoyl)-1-methylpyrazol-5-yl]-2-methylcyclopentane-1-carboxamide?
The canonical SMILES for N-[4-(N'-hydroxycarbamimidoyl)-1-methylpyrazol-5-yl]-2-methylcyclopentane-1-carboxamide is CC1CCCC1C(=O)Nc1c(C(N)=NO)cnn1C.
What is the InChIKey of N-[4-(N'-hydroxycarbamimidoyl)-1-methylpyrazol-5-yl]-2-methylcyclopentane-1-carboxamide?
The InChIKey is XJSQTAHFNLFLAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2/c1-7-4-3-5-8(7)12(18)15-11-9(10(13)16-19)6-14-17(11)2/h6-8,19H,3-5H2,1-2H3,(H2,13,16)(H,15,18).
What are the key properties of N-[4-(N'-hydroxycarbamimidoyl)-1-methylpyrazol-5-yl]-2-methylcyclopentane-1-carboxamide?
N-[4-(N'-hydroxycarbamimidoyl)-1-methylpyrazol-5-yl]-2-methylcyclopentane-1-carboxamide has a molecular weight of 265.32 g/mol, XLogP of 0.89, 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-methylcyclopentane-1-carboxamide is sourced from PubChem (CID 136862283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).