N-[1-(2-ethylpyrazol-3-yl)ethyl]-4-nitro-1H-pyrazole-5-carboxamide

C11H14N6O3 — CID 19479705

IUPACN-[1-(2-ethylpyrazol-3-yl)ethyl]-4-nitro-1H-pyrazole-5-carboxamide
SMILESCCn1nccc1C(C)NC(=O)c1[nH]ncc1[N+](=O)[O-]
InChIInChI=1S/C11H14N6O3/c1-3-16-8(4-5-13-16)7(2)14-11(18)10-9(17(19)20)6-12-15-10/h4-7H,3H2,1-2H3,(H,12,15)(H,14,18)
InChIKeyLZQJPTAHHINVKY-UHFFFAOYSA-N
MW278.27 g/mol
LogP1.03
Rot. Bonds5

About N-[1-(2-ethylpyrazol-3-yl)ethyl]-4-nitro-1H-pyrazole-5-carboxamide

N-[1-(2-ethylpyrazol-3-yl)ethyl]-4-nitro-1H-pyrazole-5-carboxamide (PubChem CID 19479705) has the molecular formula C11H14N6O3 and a molecular weight of 278.27 g/mol. Its IUPAC name is N-[1-(2-ethylpyrazol-3-yl)ethyl]-4-nitro-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(2-ethylpyrazol-3-yl)ethyl]-4-nitro-1H-pyrazole-5-carboxamide
PubChem CID19479705
Molecular FormulaC11H14N6O3
Molecular Weight278.27 g/mol
Exact Mass278.11
IUPAC NameN-[1-(2-ethylpyrazol-3-yl)ethyl]-4-nitro-1H-pyrazole-5-carboxamide
SMILESCCn1nccc1C(C)NC(=O)c1[nH]ncc1[N+](=O)[O-]
InChIInChI=1S/C11H14N6O3/c1-3-16-8(4-5-13-16)7(2)14-11(18)10-9(17(19)20)6-12-15-10/h4-7H,3H2,1-2H3,(H,12,15)(H,14,18)
InChIKeyLZQJPTAHHINVKY-UHFFFAOYSA-N
XLogP1.03
TPSA118.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-[1-(2-ethylpyrazol-3-yl)ethyl]-5-[(3-methyl-4-nitrophenoxy)methyl]furan-2-carboxamide
CID 19415067
N-[1-(2-ethylpyrazol-3-yl)ethyl]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 19513124
2-bromo-N-[1-(2-ethylpyrazol-3-yl)ethyl]benzamide
CID 19414972
ethyl (2R)-2-[(4-nitro-1H-pyrazole-5-carbonyl)amino]-3-sulfanylpropanoate
CID 19479562
N-(1-hydroxy-3-phenylpropan-2-yl)-4-nitro-1H-pyrazole-5-carboxamide
CID 86783666
N-[1-(2-ethylpyrazol-3-yl)ethyl]-2-(5-methyl-3-nitropyrazol-1-yl)propanamide
CID 19538936
4-[[(1R)-1-(2-ethylpyrazol-3-yl)ethyl]amino]-4-oxobutanoic acid
CID 51388652
2,3-dichloro-N-[1-(2-ethylpyrazol-3-yl)ethyl]benzamide
CID 19415098
N-[1-(2-ethylpyrazol-3-yl)ethyl]-3-fluorobenzamide
CID 19415003
N-[1-(1-adamantyl)propyl]-4-nitro-1H-pyrazole-5-carboxamide
CID 19479577
N-hexyl-4-nitro-1H-pyrazole-5-carboxamide
CID 2840083
2-[2-[1-(2-ethylpyrazol-3-yl)ethylamino]-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19485649

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-ethylpyrazol-3-yl)ethyl]-4-nitro-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[1-(2-ethylpyrazol-3-yl)ethyl]-4-nitro-1H-pyrazole-5-carboxamide (CID 19479705) is N-[1-(2-ethylpyrazol-3-yl)ethyl]-4-nitro-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[1-(2-ethylpyrazol-3-yl)ethyl]-4-nitro-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[1-(2-ethylpyrazol-3-yl)ethyl]-4-nitro-1H-pyrazole-5-carboxamide is CCn1nccc1C(C)NC(=O)c1[nH]ncc1[N+](=O)[O-].
What is the InChIKey of N-[1-(2-ethylpyrazol-3-yl)ethyl]-4-nitro-1H-pyrazole-5-carboxamide?
The InChIKey is LZQJPTAHHINVKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O3/c1-3-16-8(4-5-13-16)7(2)14-11(18)10-9(17(19)20)6-12-15-10/h4-7H,3H2,1-2H3,(H,12,15)(H,14,18).
What are the key properties of N-[1-(2-ethylpyrazol-3-yl)ethyl]-4-nitro-1H-pyrazole-5-carboxamide?
N-[1-(2-ethylpyrazol-3-yl)ethyl]-4-nitro-1H-pyrazole-5-carboxamide has a molecular weight of 278.27 g/mol, XLogP of 1.03, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-ethylpyrazol-3-yl)ethyl]-4-nitro-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 19479705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).