2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[[(1R,2S)-2-methylcyclohexyl]carbamoyl]acetamide

C15H23N5O4 — CID 9110458

IUPAC2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[[(1R,2S)-2-methylcyclohexyl]carbamoyl]acetamide
SMILESCc1nn(CC(=O)NC(=O)N[C@@H]2CCCC[C@@H]2C)c(C)c1[N+](=O)[O-]
InChIInChI=1S/C15H23N5O4/c1-9-6-4-5-7-12(9)16-15(22)17-13(21)8-19-11(3)14(20(23)24)10(2)18-19/h9,12H,4-8H2,1-3H3,(H2,16,17,21,22)/t9-,12+/m0/s1
InChIKeyFZHGQUYIWVOYQD-JOYOIKCWSA-N
MW337.38 g/mol
LogP1.81
Rot. Bonds4

About 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[[(1R,2S)-2-methylcyclohexyl]carbamoyl]acetamide

2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[[(1R,2S)-2-methylcyclohexyl]carbamoyl]acetamide (PubChem CID 9110458) has the molecular formula C15H23N5O4 and a molecular weight of 337.38 g/mol. Its IUPAC name is 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[[(1R,2S)-2-methylcyclohexyl]carbamoyl]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[[(1R,2S)-2-methylcyclohexyl]carbamoyl]acetamide
PubChem CID9110458
Molecular FormulaC15H23N5O4
Molecular Weight337.38 g/mol
Exact Mass337.18
IUPAC Name2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[[(1R,2S)-2-methylcyclohexyl]carbamoyl]acetamide
SMILESCc1nn(CC(=O)NC(=O)N[C@@H]2CCCC[C@@H]2C)c(C)c1[N+](=O)[O-]
InChIInChI=1S/C15H23N5O4/c1-9-6-4-5-7-12(9)16-15(22)17-13(21)8-19-11(3)14(20(23)24)10(2)18-19/h9,12H,4-8H2,1-3H3,(H2,16,17,21,22)/t9-,12+/m0/s1
InChIKeyFZHGQUYIWVOYQD-JOYOIKCWSA-N
XLogP1.81
TPSA119.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 51.81
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

2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 7277769
N-(tert-butylcarbamoyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide
CID 7277722
2-(3,5-dimethyl-4-nitropyrazol-1-yl)-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethanone
CID 8852227
3-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(2-methylpiperidin-3-yl)propanamide
CID 120575298
1-(azocan-1-yl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethanone
CID 40753587
2-[5-(2-hydroxyethyl)tetrazol-1-yl]-N-[(2-methylcyclohexyl)carbamoyl]acetamide
CID 126802183
2-[5-(2-hydroxyethyl)tetrazol-1-yl]-N-[[(1R,2S)-2-methylcyclohexyl]carbamoyl]acetamide
CID 125419977
1-(3,4-dihydroxypyrrolidin-1-yl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethanone
CID 106671484
1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethanone
CID 9395553
1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethanone
CID 51215393
2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(3-hydroxypropyl)acetamide
CID 43390149
N-[(1R,2S)-2-methylcyclohexyl]-2-(3-nitro-1,2,4-triazol-1-yl)acetamide
CID 94170939

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[[(1R,2S)-2-methylcyclohexyl]carbamoyl]acetamide?
The IUPAC name of 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[[(1R,2S)-2-methylcyclohexyl]carbamoyl]acetamide (CID 9110458) is 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[[(1R,2S)-2-methylcyclohexyl]carbamoyl]acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[[(1R,2S)-2-methylcyclohexyl]carbamoyl]acetamide?
The canonical SMILES for 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[[(1R,2S)-2-methylcyclohexyl]carbamoyl]acetamide is Cc1nn(CC(=O)NC(=O)N[C@@H]2CCCC[C@@H]2C)c(C)c1[N+](=O)[O-].
What is the InChIKey of 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[[(1R,2S)-2-methylcyclohexyl]carbamoyl]acetamide?
The InChIKey is FZHGQUYIWVOYQD-JOYOIKCWSA-N. The full InChI is InChI=1S/C15H23N5O4/c1-9-6-4-5-7-12(9)16-15(22)17-13(21)8-19-11(3)14(20(23)24)10(2)18-19/h9,12H,4-8H2,1-3H3,(H2,16,17,21,22)/t9-,12+/m0/s1.
What are the key properties of 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[[(1R,2S)-2-methylcyclohexyl]carbamoyl]acetamide?
2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[[(1R,2S)-2-methylcyclohexyl]carbamoyl]acetamide has a molecular weight of 337.38 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[[(1R,2S)-2-methylcyclohexyl]carbamoyl]acetamide is sourced from PubChem (CID 9110458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).