N-(3-amino-3-hydroxyimino-2-methylpropyl)-3-ethyl-N,1-dimethylpyrazole-5-carboxamide

C12H21N5O2 — CID 77113275

IUPACN-(3-amino-3-hydroxyimino-2-methylpropyl)-3-ethyl-N,1-dimethylpyrazole-5-carboxamide
SMILESCCc1cc(C(=O)N(C)CC(C)C(N)=NO)n(C)n1
InChIInChI=1S/C12H21N5O2/c1-5-9-6-10(17(4)14-9)12(18)16(3)7-8(2)11(13)15-19/h6,8,19H,5,7H2,1-4H3,(H2,13,15)
InChIKeyWWNSRWMVZNSDEN-UHFFFAOYSA-N
MW267.33 g/mol
LogP0.44
Rot. Bonds5

About N-(3-amino-3-hydroxyimino-2-methylpropyl)-3-ethyl-N,1-dimethylpyrazole-5-carboxamide

N-(3-amino-3-hydroxyimino-2-methylpropyl)-3-ethyl-N,1-dimethylpyrazole-5-carboxamide (PubChem CID 77113275) has the molecular formula C12H21N5O2 and a molecular weight of 267.33 g/mol. Its IUPAC name is N-(3-amino-3-hydroxyimino-2-methylpropyl)-3-ethyl-N,1-dimethylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-amino-3-hydroxyimino-2-methylpropyl)-3-ethyl-N,1-dimethylpyrazole-5-carboxamide
PubChem CID77113275
Molecular FormulaC12H21N5O2
Molecular Weight267.33 g/mol
Exact Mass267.17
IUPAC NameN-(3-amino-3-hydroxyimino-2-methylpropyl)-3-ethyl-N,1-dimethylpyrazole-5-carboxamide
SMILESCCc1cc(C(=O)N(C)CC(C)C(N)=NO)n(C)n1
InChIInChI=1S/C12H21N5O2/c1-5-9-6-10(17(4)14-9)12(18)16(3)7-8(2)11(13)15-19/h6,8,19H,5,7H2,1-4H3,(H2,13,15)
InChIKeyWWNSRWMVZNSDEN-UHFFFAOYSA-N
XLogP0.44
TPSA96.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.44
H-Bond Donors ≤ 52
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-chloropropyl)-3-ethyl-N,1-dimethylpyrazole-5-carboxamide
CID 66120573
N-(1-amino-1-hydroxyiminopropan-2-yl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 77113214
3-ethyl-N-(3-hydroxybutyl)-N,1-dimethylpyrazole-5-carboxamide
CID 113499792
methyl 3-[(1,3-diethylpyrazole-5-carbonyl)-methylamino]-2-methylpropanoate
CID 66120831
3-ethyl-1-methylpyrazole-5-carboxamide
CID 66119758
3-ethyl-1-methylpyrazole-5-carboxylic acid
CID 820565
3-ethyl-N-(2-hydroxyethyl)-1-methyl-N-propan-2-ylpyrazole-5-carboxamide
CID 66121727
2-[(3-ethyl-1-methylpyrazole-5-carbonyl)-propan-2-ylamino]acetic acid
CID 66120317
1-(3-ethyl-1-methylpyrazol-5-yl)-2-methylbutan-1-one
CID 105119427
N-[(2-aminophenyl)methyl]-3-ethyl-N,1-dimethylpyrazole-5-carboxamide
CID 66121882
N-(3-amino-3-hydroxyimino-2-methylpropyl)-N,5-dimethylpyridine-3-carboxamide
CID 77072776
N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-3,4-dihydroxy-N-methylbenzamide
CID 107728901

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-hydroxyimino-2-methylpropyl)-3-ethyl-N,1-dimethylpyrazole-5-carboxamide?
The IUPAC name of N-(3-amino-3-hydroxyimino-2-methylpropyl)-3-ethyl-N,1-dimethylpyrazole-5-carboxamide (CID 77113275) is N-(3-amino-3-hydroxyimino-2-methylpropyl)-3-ethyl-N,1-dimethylpyrazole-5-carboxamide.
What is the SMILES notation for N-(3-amino-3-hydroxyimino-2-methylpropyl)-3-ethyl-N,1-dimethylpyrazole-5-carboxamide?
The canonical SMILES for N-(3-amino-3-hydroxyimino-2-methylpropyl)-3-ethyl-N,1-dimethylpyrazole-5-carboxamide is CCc1cc(C(=O)N(C)CC(C)C(N)=NO)n(C)n1.
What is the InChIKey of N-(3-amino-3-hydroxyimino-2-methylpropyl)-3-ethyl-N,1-dimethylpyrazole-5-carboxamide?
The InChIKey is WWNSRWMVZNSDEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2/c1-5-9-6-10(17(4)14-9)12(18)16(3)7-8(2)11(13)15-19/h6,8,19H,5,7H2,1-4H3,(H2,13,15).
What are the key properties of N-(3-amino-3-hydroxyimino-2-methylpropyl)-3-ethyl-N,1-dimethylpyrazole-5-carboxamide?
N-(3-amino-3-hydroxyimino-2-methylpropyl)-3-ethyl-N,1-dimethylpyrazole-5-carboxamide has a molecular weight of 267.33 g/mol, XLogP of 0.44, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-hydroxyimino-2-methylpropyl)-3-ethyl-N,1-dimethylpyrazole-5-carboxamide is sourced from PubChem (CID 77113275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).