1-[(Z)-N'-hydroxycarbamimidoyl]-N-[1-(2-methoxyethyl)pyrazol-4-yl]cyclopropane-1-carboxamide

C11H17N5O3 — CID 80597322

IUPAC1-[(Z)-N'-hydroxycarbamimidoyl]-N-[1-(2-methoxyethyl)pyrazol-4-yl]cyclopropane-1-carboxamide
SMILESCOCCn1cc(NC(=O)C2(/C(N)=N/O)CC2)cn1
InChIInChI=1S/C11H17N5O3/c1-19-5-4-16-7-8(6-13-16)14-10(17)11(2-3-11)9(12)15-18/h6-7,18H,2-5H2,1H3,(H2,12,15)(H,14,17)
InChIKeyHZRRIGMFLMPHIR-UHFFFAOYSA-N
MW267.29 g/mol
LogP-0.01
Rot. Bonds6

About 1-[(Z)-N'-hydroxycarbamimidoyl]-N-[1-(2-methoxyethyl)pyrazol-4-yl]cyclopropane-1-carboxamide

1-[(Z)-N'-hydroxycarbamimidoyl]-N-[1-(2-methoxyethyl)pyrazol-4-yl]cyclopropane-1-carboxamide (PubChem CID 80597322) has the molecular formula C11H17N5O3 and a molecular weight of 267.29 g/mol. Its IUPAC name is 1-[(Z)-N'-hydroxycarbamimidoyl]-N-[1-(2-methoxyethyl)pyrazol-4-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-[(Z)-N'-hydroxycarbamimidoyl]-N-[1-(2-methoxyethyl)pyrazol-4-yl]cyclopropane-1-carboxamide
PubChem CID80597322
Molecular FormulaC11H17N5O3
Molecular Weight267.29 g/mol
Exact Mass267.13
IUPAC Name1-[(Z)-N'-hydroxycarbamimidoyl]-N-[1-(2-methoxyethyl)pyrazol-4-yl]cyclopropane-1-carboxamide
SMILESCOCCn1cc(NC(=O)C2(/C(N)=N/O)CC2)cn1
InChIInChI=1S/C11H17N5O3/c1-19-5-4-16-7-8(6-13-16)14-10(17)11(2-3-11)9(12)15-18/h6-7,18H,2-5H2,1H3,(H2,12,15)(H,14,17)
InChIKeyHZRRIGMFLMPHIR-UHFFFAOYSA-N
XLogP-0.01
TPSA114.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 5-0.01
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-(N'-hydroxycarbamimidoyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]-3-methylbutanamide
CID 76926717
3-amino-3-hydroxyimino-N-[1-(2-methoxyethyl)pyrazol-4-yl]-2,2-dimethylpropanamide
CID 76921677
2-amino-N-[1-(2-methoxyethyl)pyrazol-4-yl]-1-methylcyclopentane-1-carboxamide
CID 82765458
4-methoxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]piperidine-4-carboxamide;hydrochloride
CID 119728728
(2R)-2-amino-N-[1-(2-methoxyethyl)pyrazol-4-yl]propanamide;hydrochloride
CID 119292252
N-[1-(2-methoxyethyl)pyrazol-4-yl]but-2-enamide
CID 78968035
2-amino-N-[1-(2-methoxyethyl)pyrazol-4-yl]-3-methylbutanamide;hydrochloride
CID 119292257
3-[1-(2-methoxyethyl)pyrazol-4-yl]-1-methyl-1-[(1R)-1-(1-methylcyclopropyl)ethyl]urea
CID 95974976
3-hydroxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]-1-phenylcyclobutane-1-carboxamide
CID 126833913
5-hydrazinyl-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyrazine-2-carboxamide
CID 107377908
2,6-dihydroxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]benzamide
CID 103749044
4-(bromomethyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]benzamide
CID 102851174

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-N'-hydroxycarbamimidoyl]-N-[1-(2-methoxyethyl)pyrazol-4-yl]cyclopropane-1-carboxamide?
The IUPAC name of 1-[(Z)-N'-hydroxycarbamimidoyl]-N-[1-(2-methoxyethyl)pyrazol-4-yl]cyclopropane-1-carboxamide (CID 80597322) is 1-[(Z)-N'-hydroxycarbamimidoyl]-N-[1-(2-methoxyethyl)pyrazol-4-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-[(Z)-N'-hydroxycarbamimidoyl]-N-[1-(2-methoxyethyl)pyrazol-4-yl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-[(Z)-N'-hydroxycarbamimidoyl]-N-[1-(2-methoxyethyl)pyrazol-4-yl]cyclopropane-1-carboxamide is COCCn1cc(NC(=O)C2(/C(N)=N/O)CC2)cn1.
What is the InChIKey of 1-[(Z)-N'-hydroxycarbamimidoyl]-N-[1-(2-methoxyethyl)pyrazol-4-yl]cyclopropane-1-carboxamide?
The InChIKey is HZRRIGMFLMPHIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O3/c1-19-5-4-16-7-8(6-13-16)14-10(17)11(2-3-11)9(12)15-18/h6-7,18H,2-5H2,1H3,(H2,12,15)(H,14,17).
What are the key properties of 1-[(Z)-N'-hydroxycarbamimidoyl]-N-[1-(2-methoxyethyl)pyrazol-4-yl]cyclopropane-1-carboxamide?
1-[(Z)-N'-hydroxycarbamimidoyl]-N-[1-(2-methoxyethyl)pyrazol-4-yl]cyclopropane-1-carboxamide has a molecular weight of 267.29 g/mol, XLogP of -0.01, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-N'-hydroxycarbamimidoyl]-N-[1-(2-methoxyethyl)pyrazol-4-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 80597322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).