3-methoxy-N-(1-methylpiperidin-4-yl)-4-nitro-1H-pyrazole-5-carboxamide

C11H17N5O4 — CID 19511053

IUPAC3-methoxy-N-(1-methylpiperidin-4-yl)-4-nitro-1H-pyrazole-5-carboxamide
SMILESCOc1n[nH]c(C(=O)NC2CCN(C)CC2)c1[N+](=O)[O-]
InChIInChI=1S/C11H17N5O4/c1-15-5-3-7(4-6-15)12-10(17)8-9(16(18)19)11(20-2)14-13-8/h7H,3-6H2,1-2H3,(H,12,17)(H,13,14)
InChIKeyYOQGCDUKBRPBCM-UHFFFAOYSA-N
MW283.29 g/mol
LogP0.15
Rot. Bonds4

About 3-methoxy-N-(1-methylpiperidin-4-yl)-4-nitro-1H-pyrazole-5-carboxamide

3-methoxy-N-(1-methylpiperidin-4-yl)-4-nitro-1H-pyrazole-5-carboxamide (PubChem CID 19511053) has the molecular formula C11H17N5O4 and a molecular weight of 283.29 g/mol. Its IUPAC name is 3-methoxy-N-(1-methylpiperidin-4-yl)-4-nitro-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-methoxy-N-(1-methylpiperidin-4-yl)-4-nitro-1H-pyrazole-5-carboxamide
PubChem CID19511053
Molecular FormulaC11H17N5O4
Molecular Weight283.29 g/mol
Exact Mass283.13
IUPAC Name3-methoxy-N-(1-methylpiperidin-4-yl)-4-nitro-1H-pyrazole-5-carboxamide
SMILESCOc1n[nH]c(C(=O)NC2CCN(C)CC2)c1[N+](=O)[O-]
InChIInChI=1S/C11H17N5O4/c1-15-5-3-7(4-6-15)12-10(17)8-9(16(18)19)11(20-2)14-13-8/h7H,3-6H2,1-2H3,(H,12,17)(H,13,14)
InChIKeyYOQGCDUKBRPBCM-UHFFFAOYSA-N
XLogP0.15
TPSA113.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 50.15
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-4-nitro-N-octadecyl-1H-pyrazole-5-carboxamide
CID 19510916
N-(2-hydroxyphenyl)-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide
CID 19510884
3-methoxy-4-nitro-N-(3-propan-2-yloxypropyl)-1H-pyrazole-5-carboxamide
CID 19511156
N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide
CID 19511046
3-methoxy-N-(3-methoxyphenyl)-4-nitro-1H-pyrazole-5-carboxamide
CID 19510934
3-methoxy-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-4-nitro-1H-pyrazole-5-carboxamide
CID 19511174
N-(4-chloro-2-nitrophenyl)-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide
CID 19510945
3-methoxy-4-nitro-N-[2-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide
CID 19510890
(3-methoxy-4-nitro-1H-pyrazol-5-yl)-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone
CID 19514841
5-amino-N-(1-methylpiperidin-4-yl)-2H-pyrazolo[3,4-b]pyridine-3-carboxamide
CID 170781528
4,5-dibromo-N-(1-methylpiperidin-4-yl)-1H-pyrazole-3-carboxamide
CID 19508558
3-amino-N-(1-methylpiperidin-4-yl)-1H-pyrazole-5-carboxamide
CID 64524814

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(1-methylpiperidin-4-yl)-4-nitro-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-methoxy-N-(1-methylpiperidin-4-yl)-4-nitro-1H-pyrazole-5-carboxamide (CID 19511053) is 3-methoxy-N-(1-methylpiperidin-4-yl)-4-nitro-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-methoxy-N-(1-methylpiperidin-4-yl)-4-nitro-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-methoxy-N-(1-methylpiperidin-4-yl)-4-nitro-1H-pyrazole-5-carboxamide is COc1n[nH]c(C(=O)NC2CCN(C)CC2)c1[N+](=O)[O-].
What is the InChIKey of 3-methoxy-N-(1-methylpiperidin-4-yl)-4-nitro-1H-pyrazole-5-carboxamide?
The InChIKey is YOQGCDUKBRPBCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O4/c1-15-5-3-7(4-6-15)12-10(17)8-9(16(18)19)11(20-2)14-13-8/h7H,3-6H2,1-2H3,(H,12,17)(H,13,14).
What are the key properties of 3-methoxy-N-(1-methylpiperidin-4-yl)-4-nitro-1H-pyrazole-5-carboxamide?
3-methoxy-N-(1-methylpiperidin-4-yl)-4-nitro-1H-pyrazole-5-carboxamide has a molecular weight of 283.29 g/mol, XLogP of 0.15, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(1-methylpiperidin-4-yl)-4-nitro-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 19511053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).