N-butan-2-yl-1-ethyl-4-nitropyrazole-3-carboxamide

C10H16N4O3 — CID 19263063

IUPACN-butan-2-yl-1-ethyl-4-nitropyrazole-3-carboxamide
SMILESCCC(C)NC(=O)c1nn(CC)cc1[N+](=O)[O-]
InChIInChI=1S/C10H16N4O3/c1-4-7(3)11-10(15)9-8(14(16)17)6-13(5-2)12-9/h6-7H,4-5H2,1-3H3,(H,11,15)
InChIKeyRDBWSWSTIQHAND-UHFFFAOYSA-N
MW240.26 g/mol
LogP1.34
Rot. Bonds5

About N-butan-2-yl-1-ethyl-4-nitropyrazole-3-carboxamide

N-butan-2-yl-1-ethyl-4-nitropyrazole-3-carboxamide (PubChem CID 19263063) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is N-butan-2-yl-1-ethyl-4-nitropyrazole-3-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-1-ethyl-4-nitropyrazole-3-carboxamide
PubChem CID19263063
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC NameN-butan-2-yl-1-ethyl-4-nitropyrazole-3-carboxamide
SMILESCCC(C)NC(=O)c1nn(CC)cc1[N+](=O)[O-]
InChIInChI=1S/C10H16N4O3/c1-4-7(3)11-10(15)9-8(14(16)17)6-13(5-2)12-9/h6-7H,4-5H2,1-3H3,(H,11,15)
InChIKeyRDBWSWSTIQHAND-UHFFFAOYSA-N
XLogP1.34
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-ethyl-4-nitropyrazole-3-carboxamide
CID 98331108
1-ethyl-N,N-dimethyl-4-nitropyrazole-3-carboxamide
CID 163336271
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-1-ethyl-4-nitropyrazole-3-carboxamide
CID 19296655
1-methyl-4-nitro-N-propan-2-ylpyrazole-3-carboxamide
CID 19263922
1-ethyl-4-nitro-N-pyridin-2-ylpyrazole-3-carboxamide
CID 832033
(2S,3S)-3-methyl-2-[(1-methyl-4-nitropyrazole-3-carbonyl)amino]pentanoic acid
CID 120686079
1-ethyl-N-(3-hydroxyphenyl)-4-nitropyrazole-3-carboxamide
CID 19263239
N-[(1,5-dimethylpyrazol-3-yl)methyl]-1-ethyl-4-nitropyrazole-3-carboxamide
CID 19328845
N-(3-bromophenyl)-1-ethyl-4-nitropyrazole-3-carboxamide
CID 19580041
1-ethyl-N-(2-fluoro-5-methylphenyl)-4-nitropyrazole-3-carboxamide
CID 841663
N-butan-2-yl-4-chloro-1-methylpyrazole-3-carboxamide
CID 19263653
methyl 1-(chloromethyl)-4-nitropyrazole-3-carboxylate
CID 50896714

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-1-ethyl-4-nitropyrazole-3-carboxamide?
The IUPAC name of N-butan-2-yl-1-ethyl-4-nitropyrazole-3-carboxamide (CID 19263063) is N-butan-2-yl-1-ethyl-4-nitropyrazole-3-carboxamide.
What is the SMILES notation for N-butan-2-yl-1-ethyl-4-nitropyrazole-3-carboxamide?
The canonical SMILES for N-butan-2-yl-1-ethyl-4-nitropyrazole-3-carboxamide is CCC(C)NC(=O)c1nn(CC)cc1[N+](=O)[O-].
What is the InChIKey of N-butan-2-yl-1-ethyl-4-nitropyrazole-3-carboxamide?
The InChIKey is RDBWSWSTIQHAND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-4-7(3)11-10(15)9-8(14(16)17)6-13(5-2)12-9/h6-7H,4-5H2,1-3H3,(H,11,15).
What are the key properties of N-butan-2-yl-1-ethyl-4-nitropyrazole-3-carboxamide?
N-butan-2-yl-1-ethyl-4-nitropyrazole-3-carboxamide has a molecular weight of 240.26 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-1-ethyl-4-nitropyrazole-3-carboxamide is sourced from PubChem (CID 19263063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).