N-cyclopentyl-1,3-dimethyl-4-nitropyrazole-5-carboxamide

C11H16N4O3 — CID 19578053

IUPACN-cyclopentyl-1,3-dimethyl-4-nitropyrazole-5-carboxamide
SMILESCc1nn(C)c(C(=O)NC2CCCC2)c1[N+](=O)[O-]
InChIInChI=1S/C11H16N4O3/c1-7-9(15(17)18)10(14(2)13-7)11(16)12-8-5-3-4-6-8/h8H,3-6H2,1-2H3,(H,12,16)
InChIKeyRVTSRZQTXCFCLN-UHFFFAOYSA-N
MW252.27 g/mol
LogP1.31
Rot. Bonds3

About N-cyclopentyl-1,3-dimethyl-4-nitropyrazole-5-carboxamide

N-cyclopentyl-1,3-dimethyl-4-nitropyrazole-5-carboxamide (PubChem CID 19578053) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is N-cyclopentyl-1,3-dimethyl-4-nitropyrazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-1,3-dimethyl-4-nitropyrazole-5-carboxamide
PubChem CID19578053
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC NameN-cyclopentyl-1,3-dimethyl-4-nitropyrazole-5-carboxamide
SMILESCc1nn(C)c(C(=O)NC2CCCC2)c1[N+](=O)[O-]
InChIInChI=1S/C11H16N4O3/c1-7-9(15(17)18)10(14(2)13-7)11(16)12-8-5-3-4-6-8/h8H,3-6H2,1-2H3,(H,12,16)
InChIKeyRVTSRZQTXCFCLN-UHFFFAOYSA-N
XLogP1.31
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 51.31
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-[2-(aminomethyl)cyclohexyl]-1,3-dimethyl-4-nitropyrazole-5-carboxamide
CID 119609983
N-[2-(aminomethyl)cyclohexyl]-1,3-dimethyl-4-nitropyrazole-5-carboxamide;hydrochloride
CID 119609982
N-butyl-1,3-dimethyl-4-nitropyrazole-5-carboxamide
CID 19480862
(1,3-dimethyl-4-nitropyrazol-5-yl)-[(2S)-2-methylpiperidin-1-yl]methanone
CID 51389969
(1,3-dimethyl-4-nitropyrazol-5-yl)-piperidin-1-ylmethanone
CID 20549924
(2R)-N-cyclopropyl-2-[4-(1,3-dimethyl-4-nitropyrazol-5-yl)piperazin-1-yl]propanamide
CID 94139166
N-cyclopentyl-3-(3-methyl-4-nitropyrazol-1-yl)propanamide
CID 19539729
1,3-dimethyl-N-(2-morpholin-4-ylethyl)-4-nitropyrazole-5-carboxamide
CID 19480855
N-[(Z)-1-[4-(cyclopentanecarbonylamino)phenyl]ethylideneamino]-1,3-dimethyl-4-nitropyrazole-5-carboxamide
CID 6382607
N-cyclopentyl-3-methyl-2-nitrobenzamide
CID 890353
2-bromo-1-(1,3-dimethyl-4-nitropyrazol-5-yl)ethanone
CID 45156993
1-cyclohexyl-3-methyl-4-nitropyrazole-5-carboxamide
CID 23024289

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1,3-dimethyl-4-nitropyrazole-5-carboxamide?
The IUPAC name of N-cyclopentyl-1,3-dimethyl-4-nitropyrazole-5-carboxamide (CID 19578053) is N-cyclopentyl-1,3-dimethyl-4-nitropyrazole-5-carboxamide.
What is the SMILES notation for N-cyclopentyl-1,3-dimethyl-4-nitropyrazole-5-carboxamide?
The canonical SMILES for N-cyclopentyl-1,3-dimethyl-4-nitropyrazole-5-carboxamide is Cc1nn(C)c(C(=O)NC2CCCC2)c1[N+](=O)[O-].
What is the InChIKey of N-cyclopentyl-1,3-dimethyl-4-nitropyrazole-5-carboxamide?
The InChIKey is RVTSRZQTXCFCLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c1-7-9(15(17)18)10(14(2)13-7)11(16)12-8-5-3-4-6-8/h8H,3-6H2,1-2H3,(H,12,16).
What are the key properties of N-cyclopentyl-1,3-dimethyl-4-nitropyrazole-5-carboxamide?
N-cyclopentyl-1,3-dimethyl-4-nitropyrazole-5-carboxamide has a molecular weight of 252.27 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1,3-dimethyl-4-nitropyrazole-5-carboxamide is sourced from PubChem (CID 19578053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).