5-ethyl-4-nitro-N-[(1R,2R)-2-pyrazol-1-ylcyclohexyl]-1H-pyrazole-3-carboxamide

C15H20N6O3 — CID 124624705

IUPAC5-ethyl-4-nitro-N-[(1R,2R)-2-pyrazol-1-ylcyclohexyl]-1H-pyrazole-3-carboxamide
SMILESCCc1[nH]nc(C(=O)N[C@@H]2CCCC[C@H]2n2cccn2)c1[N+](=O)[O-]
InChIInChI=1S/C15H20N6O3/c1-2-10-14(21(23)24)13(19-18-10)15(22)17-11-6-3-4-7-12(11)20-9-5-8-16-20/h5,8-9,11-12H,2-4,6-7H2,1H3,(H,17,22)(H,18,19)/t11-,12-/m1/s1
InChIKeyQXSJPFNWACUSQR-VXGBXAGGSA-N
MW332.36 g/mol
LogP1.99
Rot. Bonds5

About 5-ethyl-4-nitro-N-[(1R,2R)-2-pyrazol-1-ylcyclohexyl]-1H-pyrazole-3-carboxamide

5-ethyl-4-nitro-N-[(1R,2R)-2-pyrazol-1-ylcyclohexyl]-1H-pyrazole-3-carboxamide (PubChem CID 124624705) has the molecular formula C15H20N6O3 and a molecular weight of 332.36 g/mol. Its IUPAC name is 5-ethyl-4-nitro-N-[(1R,2R)-2-pyrazol-1-ylcyclohexyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-ethyl-4-nitro-N-[(1R,2R)-2-pyrazol-1-ylcyclohexyl]-1H-pyrazole-3-carboxamide
PubChem CID124624705
Molecular FormulaC15H20N6O3
Molecular Weight332.36 g/mol
Exact Mass332.16
IUPAC Name5-ethyl-4-nitro-N-[(1R,2R)-2-pyrazol-1-ylcyclohexyl]-1H-pyrazole-3-carboxamide
SMILESCCc1[nH]nc(C(=O)N[C@@H]2CCCC[C@H]2n2cccn2)c1[N+](=O)[O-]
InChIInChI=1S/C15H20N6O3/c1-2-10-14(21(23)24)13(19-18-10)15(22)17-11-6-3-4-7-12(11)20-9-5-8-16-20/h5,8-9,11-12H,2-4,6-7H2,1H3,(H,17,22)(H,18,19)/t11-,12-/m1/s1
InChIKeyQXSJPFNWACUSQR-VXGBXAGGSA-N
XLogP1.99
TPSA118.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 51.99
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

3-methoxy-2-nitro-N-[(1R,2R)-2-pyrazol-1-ylcyclohexyl]benzamide
CID 99841643
5-ethyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-4-nitro-1H-pyrazole-3-carboxamide
CID 138993303
5-methyl-1-(3-methylphenyl)-N-[(1R,2R)-2-pyrazol-1-ylcyclohexyl]triazole-4-carboxamide
CID 95784960
4-amino-5-ethyl-N-(2-methylcyclohexyl)-1H-pyrazole-3-carboxamide
CID 55034049
1-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-(2-pyrazol-1-ylcyclohexyl)urea
CID 86789203
3-(dimethylamino)-N-[(1S,2R)-2-pyrazol-1-ylcyclohexyl]benzamide
CID 95968799
(1R,5S)-9-hydroxy-N-[(1R,2R)-2-pyrazol-1-ylcyclohexyl]-3-azabicyclo[3.3.1]nonane-3-carboxamide
CID 124730444
4-nitro-5-propyl-N-(pyrrolidin-2-ylmethyl)-1H-pyrazole-3-carboxamide;hydrochloride
CID 119513392
(5-ethyl-4-nitro-1H-pyrazol-3-yl)-[(5S)-5-methyl-1,4-thiazepan-4-yl]methanone
CID 124625319
(2S)-N-(2-fluoroethyl)-2-[[(1S,2R)-2-pyrazol-1-ylcyclohexyl]carbamoylamino]propanamide
CID 124850298
1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-[(1S,2S)-2-pyrazol-1-ylcyclohexyl]urea
CID 96566708
1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-[(1R,2S)-2-pyrazol-1-ylcyclohexyl]urea
CID 96566707

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-nitro-N-[(1R,2R)-2-pyrazol-1-ylcyclohexyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-ethyl-4-nitro-N-[(1R,2R)-2-pyrazol-1-ylcyclohexyl]-1H-pyrazole-3-carboxamide (CID 124624705) is 5-ethyl-4-nitro-N-[(1R,2R)-2-pyrazol-1-ylcyclohexyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-ethyl-4-nitro-N-[(1R,2R)-2-pyrazol-1-ylcyclohexyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-ethyl-4-nitro-N-[(1R,2R)-2-pyrazol-1-ylcyclohexyl]-1H-pyrazole-3-carboxamide is CCc1[nH]nc(C(=O)N[C@@H]2CCCC[C@H]2n2cccn2)c1[N+](=O)[O-].
What is the InChIKey of 5-ethyl-4-nitro-N-[(1R,2R)-2-pyrazol-1-ylcyclohexyl]-1H-pyrazole-3-carboxamide?
The InChIKey is QXSJPFNWACUSQR-VXGBXAGGSA-N. The full InChI is InChI=1S/C15H20N6O3/c1-2-10-14(21(23)24)13(19-18-10)15(22)17-11-6-3-4-7-12(11)20-9-5-8-16-20/h5,8-9,11-12H,2-4,6-7H2,1H3,(H,17,22)(H,18,19)/t11-,12-/m1/s1.
What are the key properties of 5-ethyl-4-nitro-N-[(1R,2R)-2-pyrazol-1-ylcyclohexyl]-1H-pyrazole-3-carboxamide?
5-ethyl-4-nitro-N-[(1R,2R)-2-pyrazol-1-ylcyclohexyl]-1H-pyrazole-3-carboxamide has a molecular weight of 332.36 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-nitro-N-[(1R,2R)-2-pyrazol-1-ylcyclohexyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 124624705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).