N-[(2Z)-2-amino-1-cyclopropyl-2-hydroxyiminoethyl]-1-methylpyrazole-3-carboxamide

C10H15N5O2 — CID 103121556

IUPACN-[(2Z)-2-amino-1-cyclopropyl-2-hydroxyiminoethyl]-1-methylpyrazole-3-carboxamide
SMILESCn1ccc(C(=O)NC(/C(N)=N/O)C2CC2)n1
InChIInChI=1S/C10H15N5O2/c1-15-5-4-7(13-15)10(16)12-8(6-2-3-6)9(11)14-17/h4-6,8,17H,2-3H2,1H3,(H2,11,14)(H,12,16)
InChIKeyLRSWOLVCFBUCOD-UHFFFAOYSA-N
MW237.26 g/mol
LogP-0.33
Rot. Bonds4

About N-[(2Z)-2-amino-1-cyclopropyl-2-hydroxyiminoethyl]-1-methylpyrazole-3-carboxamide

N-[(2Z)-2-amino-1-cyclopropyl-2-hydroxyiminoethyl]-1-methylpyrazole-3-carboxamide (PubChem CID 103121556) has the molecular formula C10H15N5O2 and a molecular weight of 237.26 g/mol. Its IUPAC name is N-[(2Z)-2-amino-1-cyclopropyl-2-hydroxyiminoethyl]-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2Z)-2-amino-1-cyclopropyl-2-hydroxyiminoethyl]-1-methylpyrazole-3-carboxamide
PubChem CID103121556
Molecular FormulaC10H15N5O2
Molecular Weight237.26 g/mol
Exact Mass237.12
IUPAC NameN-[(2Z)-2-amino-1-cyclopropyl-2-hydroxyiminoethyl]-1-methylpyrazole-3-carboxamide
SMILESCn1ccc(C(=O)NC(/C(N)=N/O)C2CC2)n1
InChIInChI=1S/C10H15N5O2/c1-15-5-4-7(13-15)10(16)12-8(6-2-3-6)9(11)14-17/h4-6,8,17H,2-3H2,1H3,(H2,11,14)(H,12,16)
InChIKeyLRSWOLVCFBUCOD-UHFFFAOYSA-N
XLogP-0.33
TPSA105.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 5-0.33
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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Related Compounds

N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-2-methyltriazole-4-carboxamide
CID 112735699
N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-1,2-oxazole-3-carboxamide
CID 77039310
3-cyclopropyl-3-[(1-methylpyrazole-3-carbonyl)amino]propanoic acid
CID 103117164
N-[(2Z)-2-amino-1-cyclohexyl-2-hydroxyiminoethyl]-1,3-dimethylpyrazole-4-carboxamide
CID 102802127
N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)thiadiazole-5-carboxamide
CID 77060495
N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-3-methylpyridine-2-carboxamide
CID 77038548
N-[(1Z)-1-amino-1-hydroxyiminopropan-2-yl]-N,1-dimethylpyrazole-3-carboxamide
CID 103121422
N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)acetamide
CID 77038392
N-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-1-methylpyrazole-3-carboxamide
CID 103121322
N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-5-bromothiophene-2-carboxamide
CID 77039239
N-[cyano(cyclohexyl)methyl]-1-methylpyrazole-3-carboxamide
CID 103727982
N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-2-methoxybenzamide
CID 77038556

Frequently Asked Questions

What is the IUPAC name of N-[(2Z)-2-amino-1-cyclopropyl-2-hydroxyiminoethyl]-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-[(2Z)-2-amino-1-cyclopropyl-2-hydroxyiminoethyl]-1-methylpyrazole-3-carboxamide (CID 103121556) is N-[(2Z)-2-amino-1-cyclopropyl-2-hydroxyiminoethyl]-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(2Z)-2-amino-1-cyclopropyl-2-hydroxyiminoethyl]-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[(2Z)-2-amino-1-cyclopropyl-2-hydroxyiminoethyl]-1-methylpyrazole-3-carboxamide is Cn1ccc(C(=O)NC(/C(N)=N/O)C2CC2)n1.
What is the InChIKey of N-[(2Z)-2-amino-1-cyclopropyl-2-hydroxyiminoethyl]-1-methylpyrazole-3-carboxamide?
The InChIKey is LRSWOLVCFBUCOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O2/c1-15-5-4-7(13-15)10(16)12-8(6-2-3-6)9(11)14-17/h4-6,8,17H,2-3H2,1H3,(H2,11,14)(H,12,16).
What are the key properties of N-[(2Z)-2-amino-1-cyclopropyl-2-hydroxyiminoethyl]-1-methylpyrazole-3-carboxamide?
N-[(2Z)-2-amino-1-cyclopropyl-2-hydroxyiminoethyl]-1-methylpyrazole-3-carboxamide has a molecular weight of 237.26 g/mol, XLogP of -0.33, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2Z)-2-amino-1-cyclopropyl-2-hydroxyiminoethyl]-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 103121556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).