N-(1-amino-1-hydroxyiminopropan-2-yl)-3-ethyl-1-methylpyrazole-5-carboxamide

C10H17N5O2 — CID 77113214

IUPACN-(1-amino-1-hydroxyiminopropan-2-yl)-3-ethyl-1-methylpyrazole-5-carboxamide
SMILESCCc1cc(C(=O)NC(C)C(N)=NO)n(C)n1
InChIInChI=1S/C10H17N5O2/c1-4-7-5-8(15(3)13-7)10(16)12-6(2)9(11)14-17/h5-6,17H,4H2,1-3H3,(H2,11,14)(H,12,16)
InChIKeyPVVAYRDWEDBMIL-UHFFFAOYSA-N
MW239.28 g/mol
LogP-0.15
Rot. Bonds4

About N-(1-amino-1-hydroxyiminopropan-2-yl)-3-ethyl-1-methylpyrazole-5-carboxamide

N-(1-amino-1-hydroxyiminopropan-2-yl)-3-ethyl-1-methylpyrazole-5-carboxamide (PubChem CID 77113214) has the molecular formula C10H17N5O2 and a molecular weight of 239.28 g/mol. Its IUPAC name is N-(1-amino-1-hydroxyiminopropan-2-yl)-3-ethyl-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-amino-1-hydroxyiminopropan-2-yl)-3-ethyl-1-methylpyrazole-5-carboxamide
PubChem CID77113214
Molecular FormulaC10H17N5O2
Molecular Weight239.28 g/mol
Exact Mass239.14
IUPAC NameN-(1-amino-1-hydroxyiminopropan-2-yl)-3-ethyl-1-methylpyrazole-5-carboxamide
SMILESCCc1cc(C(=O)NC(C)C(N)=NO)n(C)n1
InChIInChI=1S/C10H17N5O2/c1-4-7-5-8(15(3)13-7)10(16)12-6(2)9(11)14-17/h5-6,17H,4H2,1-3H3,(H2,11,14)(H,12,16)
InChIKeyPVVAYRDWEDBMIL-UHFFFAOYSA-N
XLogP-0.15
TPSA105.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 5-0.15
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

(2R)-2-[(3-ethyl-1-methylpyrazole-5-carbonyl)amino]-3-methylbutanoic acid
CID 66120326
N-(3-amino-3-hydroxyimino-2-methylpropyl)-3-ethyl-N,1-dimethylpyrazole-5-carboxamide
CID 77113275
[(3-ethyl-1-methylpyrazole-5-carbonyl)amino]urea
CID 66120179
methyl 2-[(1,3-diethylpyrazole-5-carbonyl)amino]propanoate
CID 66120627
3-ethyl-1-methylpyrazole-5-carboxamide
CID 66119758
N-(1-amino-1-sulfanylidenepropan-2-yl)-1,3-diethylpyrazole-5-carboxamide
CID 66121975
N-(1-cyanopropan-2-yl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66120728
3-ethyl-1-methylpyrazole-5-carboxylic acid
CID 820565
N-[1-(2-aminophenyl)ethyl]-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66121687
N-(2-chloropropyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 114296603
N-(2-bromopropyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 114308825
N-(1-amino-2,4-dimethylpentan-2-yl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 115309756

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-hydroxyiminopropan-2-yl)-3-ethyl-1-methylpyrazole-5-carboxamide?
The IUPAC name of N-(1-amino-1-hydroxyiminopropan-2-yl)-3-ethyl-1-methylpyrazole-5-carboxamide (CID 77113214) is N-(1-amino-1-hydroxyiminopropan-2-yl)-3-ethyl-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for N-(1-amino-1-hydroxyiminopropan-2-yl)-3-ethyl-1-methylpyrazole-5-carboxamide?
The canonical SMILES for N-(1-amino-1-hydroxyiminopropan-2-yl)-3-ethyl-1-methylpyrazole-5-carboxamide is CCc1cc(C(=O)NC(C)C(N)=NO)n(C)n1.
What is the InChIKey of N-(1-amino-1-hydroxyiminopropan-2-yl)-3-ethyl-1-methylpyrazole-5-carboxamide?
The InChIKey is PVVAYRDWEDBMIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2/c1-4-7-5-8(15(3)13-7)10(16)12-6(2)9(11)14-17/h5-6,17H,4H2,1-3H3,(H2,11,14)(H,12,16).
What are the key properties of N-(1-amino-1-hydroxyiminopropan-2-yl)-3-ethyl-1-methylpyrazole-5-carboxamide?
N-(1-amino-1-hydroxyiminopropan-2-yl)-3-ethyl-1-methylpyrazole-5-carboxamide has a molecular weight of 239.28 g/mol, XLogP of -0.15, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-hydroxyiminopropan-2-yl)-3-ethyl-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 77113214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).