1-(N'-hydroxycarbamimidoyl)-N-(1H-pyrazol-4-ylmethyl)cyclopropane-1-carboxamide

C9H13N5O2 — CID 80596873

IUPAC1-(N'-hydroxycarbamimidoyl)-N-(1H-pyrazol-4-ylmethyl)cyclopropane-1-carboxamide
SMILESNC(=NO)C1(C(=O)NCc2cn[nH]c2)CC1
InChIInChI=1S/C9H13N5O2/c10-7(14-16)9(1-2-9)8(15)11-3-6-4-12-13-5-6/h4-5,16H,1-3H2,(H2,10,14)(H,11,15)(H,12,13)
InChIKeyYZGPENPENVJVOA-UHFFFAOYSA-N
MW223.24 g/mol
LogP-0.45
Rot. Bonds4

About 1-(N'-hydroxycarbamimidoyl)-N-(1H-pyrazol-4-ylmethyl)cyclopropane-1-carboxamide

1-(N'-hydroxycarbamimidoyl)-N-(1H-pyrazol-4-ylmethyl)cyclopropane-1-carboxamide (PubChem CID 80596873) has the molecular formula C9H13N5O2 and a molecular weight of 223.24 g/mol. Its IUPAC name is 1-(N'-hydroxycarbamimidoyl)-N-(1H-pyrazol-4-ylmethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(N'-hydroxycarbamimidoyl)-N-(1H-pyrazol-4-ylmethyl)cyclopropane-1-carboxamide
PubChem CID80596873
Molecular FormulaC9H13N5O2
Molecular Weight223.24 g/mol
Exact Mass223.11
IUPAC Name1-(N'-hydroxycarbamimidoyl)-N-(1H-pyrazol-4-ylmethyl)cyclopropane-1-carboxamide
SMILESNC(=NO)C1(C(=O)NCc2cn[nH]c2)CC1
InChIInChI=1S/C9H13N5O2/c10-7(14-16)9(1-2-9)8(15)11-3-6-4-12-13-5-6/h4-5,16H,1-3H2,(H2,10,14)(H,11,15)(H,12,13)
InChIKeyYZGPENPENVJVOA-UHFFFAOYSA-N
XLogP-0.45
TPSA116.39 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 5-0.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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 1-(N'-hydroxycarbamimidoyl)-N-(1H-pyrazol-4-ylmethyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(N'-hydroxycarbamimidoyl)-N-(1H-pyrazol-4-ylmethyl)cyclopropane-1-carboxamide (CID 80596873) is 1-(N'-hydroxycarbamimidoyl)-N-(1H-pyrazol-4-ylmethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(N'-hydroxycarbamimidoyl)-N-(1H-pyrazol-4-ylmethyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(N'-hydroxycarbamimidoyl)-N-(1H-pyrazol-4-ylmethyl)cyclopropane-1-carboxamide is NC(=NO)C1(C(=O)NCc2cn[nH]c2)CC1.
What is the InChIKey of 1-(N'-hydroxycarbamimidoyl)-N-(1H-pyrazol-4-ylmethyl)cyclopropane-1-carboxamide?
The InChIKey is YZGPENPENVJVOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O2/c10-7(14-16)9(1-2-9)8(15)11-3-6-4-12-13-5-6/h4-5,16H,1-3H2,(H2,10,14)(H,11,15)(H,12,13).
What are the key properties of 1-(N'-hydroxycarbamimidoyl)-N-(1H-pyrazol-4-ylmethyl)cyclopropane-1-carboxamide?
1-(N'-hydroxycarbamimidoyl)-N-(1H-pyrazol-4-ylmethyl)cyclopropane-1-carboxamide has a molecular weight of 223.24 g/mol, XLogP of -0.45, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(N'-hydroxycarbamimidoyl)-N-(1H-pyrazol-4-ylmethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 80596873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).