5-methyl-4-nitro-N-[(2-propoxy-3-pyridinyl)methyl]-1H-pyrazole-3-carboxamide

C14H17N5O4 — CID 60614236

IUPAC5-methyl-4-nitro-N-[(2-propoxy-3-pyridinyl)methyl]-1H-pyrazole-3-carboxamide
SMILESCCCOc1ncccc1CNC(=O)c1n[nH]c(C)c1[N+](=O)[O-]
InChIInChI=1S/C14H17N5O4/c1-3-7-23-14-10(5-4-6-15-14)8-16-13(20)11-12(19(21)22)9(2)17-18-11/h4-6H,3,7-8H2,1-2H3,(H,16,20)(H,17,18)
InChIKeySIZACGLJIATGNS-UHFFFAOYSA-N
MW319.32 g/mol
LogP1.74
Rot. Bonds7

About 5-methyl-4-nitro-N-[(2-propoxy-3-pyridinyl)methyl]-1H-pyrazole-3-carboxamide

5-methyl-4-nitro-N-[(2-propoxy-3-pyridinyl)methyl]-1H-pyrazole-3-carboxamide (PubChem CID 60614236) has the molecular formula C14H17N5O4 and a molecular weight of 319.32 g/mol. Its IUPAC name is 5-methyl-4-nitro-N-[(2-propoxy-3-pyridinyl)methyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-4-nitro-N-[(2-propoxy-3-pyridinyl)methyl]-1H-pyrazole-3-carboxamide
PubChem CID60614236
Molecular FormulaC14H17N5O4
Molecular Weight319.32 g/mol
Exact Mass319.13
IUPAC Name5-methyl-4-nitro-N-[(2-propoxy-3-pyridinyl)methyl]-1H-pyrazole-3-carboxamide
SMILESCCCOc1ncccc1CNC(=O)c1n[nH]c(C)c1[N+](=O)[O-]
InChIInChI=1S/C14H17N5O4/c1-3-7-23-14-10(5-4-6-15-14)8-16-13(20)11-12(19(21)22)9(2)17-18-11/h4-6H,3,7-8H2,1-2H3,(H,16,20)(H,17,18)
InChIKeySIZACGLJIATGNS-UHFFFAOYSA-N
XLogP1.74
TPSA123.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 51.74
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-methyl-4-nitro-N-[(2-propoxy-3-pyridinyl)methyl]benzamide
CID 60616136
5-methyl-4-nitro-N-octyl-1H-pyrazole-3-carboxamide
CID 23275449
2-(3-bromophenyl)-N-[(2-propoxy-3-pyridinyl)methyl]acetamide
CID 60616135
methyl 3-[(2-ethoxy-3-pyridinyl)methylcarbamoyl]-5-nitrobenzoate
CID 38537742
2-(1,3-dihydroisoindol-2-yl)-N-[(2-propoxy-3-pyridinyl)methyl]acetamide
CID 71844910
(5S,7R)-N-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-5,7-dimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
CID 146115235
N-[(2-ethoxy-3-pyridinyl)methyl]-1-oxidopyridin-1-ium-4-carboxamide
CID 38537886
N-[(2-butoxy-3-pyridinyl)methyl]but-2-enamide
CID 126809112
ethyl 4-[N'-methyl-N-[(2-propoxy-3-pyridinyl)methyl]carbamimidoyl]piperazine-1-carboxylate;hydroiodide
CID 111163672
4-bromo-5-propan-2-yl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-1H-pyrazole-3-carboxamide
CID 56563614
3-(2-chlorophenyl)-N-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-1H-pyrazole-5-carboxamide
CID 47036298
2-methyl-1-[(3-methylphenyl)methyl]-3-[(2-propoxy-3-pyridinyl)methyl]guanidine
CID 111900879

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-nitro-N-[(2-propoxy-3-pyridinyl)methyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-methyl-4-nitro-N-[(2-propoxy-3-pyridinyl)methyl]-1H-pyrazole-3-carboxamide (CID 60614236) is 5-methyl-4-nitro-N-[(2-propoxy-3-pyridinyl)methyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-methyl-4-nitro-N-[(2-propoxy-3-pyridinyl)methyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-methyl-4-nitro-N-[(2-propoxy-3-pyridinyl)methyl]-1H-pyrazole-3-carboxamide is CCCOc1ncccc1CNC(=O)c1n[nH]c(C)c1[N+](=O)[O-].
What is the InChIKey of 5-methyl-4-nitro-N-[(2-propoxy-3-pyridinyl)methyl]-1H-pyrazole-3-carboxamide?
The InChIKey is SIZACGLJIATGNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O4/c1-3-7-23-14-10(5-4-6-15-14)8-16-13(20)11-12(19(21)22)9(2)17-18-11/h4-6H,3,7-8H2,1-2H3,(H,16,20)(H,17,18).
What are the key properties of 5-methyl-4-nitro-N-[(2-propoxy-3-pyridinyl)methyl]-1H-pyrazole-3-carboxamide?
5-methyl-4-nitro-N-[(2-propoxy-3-pyridinyl)methyl]-1H-pyrazole-3-carboxamide has a molecular weight of 319.32 g/mol, XLogP of 1.74, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-nitro-N-[(2-propoxy-3-pyridinyl)methyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 60614236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).