N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide

C15H18N8O4 — CID 19511164

IUPACN-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide
SMILESCCn1ncc(Cn2cc(NC(=O)c3[nH]nc(OC)c3[N+](=O)[O-])cn2)c1C
InChIInChI=1S/C15H18N8O4/c1-4-22-9(2)10(5-17-22)7-21-8-11(6-16-21)18-14(24)12-13(23(25)26)15(27-3)20-19-12/h5-6,8H,4,7H2,1-3H3,(H,18,24)(H,19,20)
InChIKeyBSUHRCRKOLEOHK-UHFFFAOYSA-N
MW374.36 g/mol
LogP1.35
Rot. Bonds7

About N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide

N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide (PubChem CID 19511164) has the molecular formula C15H18N8O4 and a molecular weight of 374.36 g/mol. Its IUPAC name is N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide
PubChem CID19511164
Molecular FormulaC15H18N8O4
Molecular Weight374.36 g/mol
Exact Mass374.15
IUPAC NameN-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide
SMILESCCn1ncc(Cn2cc(NC(=O)c3[nH]nc(OC)c3[N+](=O)[O-])cn2)c1C
InChIInChI=1S/C15H18N8O4/c1-4-22-9(2)10(5-17-22)7-21-8-11(6-16-21)18-14(24)12-13(23(25)26)15(27-3)20-19-12/h5-6,8H,4,7H2,1-3H3,(H,18,24)(H,19,20)
InChIKeyBSUHRCRKOLEOHK-UHFFFAOYSA-N
XLogP1.35
TPSA145.79 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.36
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]-4-nitro-1H-pyrazole-5-carboxamide
CID 19511058
N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide
CID 19511180
1-ethyl-N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]-4-nitropyrazole-5-carboxamide
CID 19476569
2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]acetamide
CID 19515874
N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]-3,5-dimethoxybenzamide
CID 19340332
N-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide
CID 19511020
N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 19508361
N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]-2-methylpyrazole-3-carboxamide
CID 19475757
N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]-2-(5-methyl-4-nitropyrazol-1-yl)propanamide
CID 19539280
4-ethyl-N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]benzamide
CID 19340392
1,3-bis[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]thiourea
CID 19445910
N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
CID 19514083

Frequently Asked Questions

What is the IUPAC name of N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide (CID 19511164) is N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide is CCn1ncc(Cn2cc(NC(=O)c3[nH]nc(OC)c3[N+](=O)[O-])cn2)c1C.
What is the InChIKey of N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide?
The InChIKey is BSUHRCRKOLEOHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N8O4/c1-4-22-9(2)10(5-17-22)7-21-8-11(6-16-21)18-14(24)12-13(23(25)26)15(27-3)20-19-12/h5-6,8H,4,7H2,1-3H3,(H,18,24)(H,19,20).
What are the key properties of N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide?
N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide has a molecular weight of 374.36 g/mol, XLogP of 1.35, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 19511164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).