1-ethyl-N-methyl-4-[3-(3-methyl-4-nitropyrazol-1-yl)propanoylamino]pyrazole-3-carboxamide

C14H19N7O4 — CID 19539981

IUPAC1-ethyl-N-methyl-4-[3-(3-methyl-4-nitropyrazol-1-yl)propanoylamino]pyrazole-3-carboxamide
SMILESCCn1cc(NC(=O)CCn2cc([N+](=O)[O-])c(C)n2)c(C(=O)NC)n1
InChIInChI=1S/C14H19N7O4/c1-4-19-7-10(13(18-19)14(23)15-3)16-12(22)5-6-20-8-11(21(24)25)9(2)17-20/h7-8H,4-6H2,1-3H3,(H,15,23)(H,16,22)
InChIKeyOBBXVQAWEFWEMF-UHFFFAOYSA-N
MW349.35 g/mol
LogP0.70
Rot. Bonds7

About 1-ethyl-N-methyl-4-[3-(3-methyl-4-nitropyrazol-1-yl)propanoylamino]pyrazole-3-carboxamide

1-ethyl-N-methyl-4-[3-(3-methyl-4-nitropyrazol-1-yl)propanoylamino]pyrazole-3-carboxamide (PubChem CID 19539981) has the molecular formula C14H19N7O4 and a molecular weight of 349.35 g/mol. Its IUPAC name is 1-ethyl-N-methyl-4-[3-(3-methyl-4-nitropyrazol-1-yl)propanoylamino]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-methyl-4-[3-(3-methyl-4-nitropyrazol-1-yl)propanoylamino]pyrazole-3-carboxamide
PubChem CID19539981
Molecular FormulaC14H19N7O4
Molecular Weight349.35 g/mol
Exact Mass349.15
IUPAC Name1-ethyl-N-methyl-4-[3-(3-methyl-4-nitropyrazol-1-yl)propanoylamino]pyrazole-3-carboxamide
SMILESCCn1cc(NC(=O)CCn2cc([N+](=O)[O-])c(C)n2)c(C(=O)NC)n1
InChIInChI=1S/C14H19N7O4/c1-4-19-7-10(13(18-19)14(23)15-3)16-12(22)5-6-20-8-11(21(24)25)9(2)17-20/h7-8H,4-6H2,1-3H3,(H,15,23)(H,16,22)
InChIKeyOBBXVQAWEFWEMF-UHFFFAOYSA-N
XLogP0.70
TPSA136.98 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

1-ethyl-4-[3-(3-methyl-4-nitropyrazol-1-yl)propanoylamino]pyrazole-3-carboxamide
CID 19539887
4-[3-(4-bromo-3-methylpyrazol-1-yl)propanoylamino]-1-ethyl-N-methylpyrazole-3-carboxamide
CID 4777173
1-ethyl-N-methyl-4-[3-(4-nitropyrazol-1-yl)propanoylamino]pyrazole-3-carboxamide
CID 19555657
1-ethyl-N-methyl-4-[3-(3-nitropyrazol-1-yl)propanoylamino]pyrazole-3-carboxamide
CID 19566036
N-methyl-3-(3-methyl-4-nitropyrazol-1-yl)propanamide
CID 19539994
4-[3-(4-chloro-3-methylpyrazol-1-yl)propanoylamino]-1-ethylpyrazole-3-carboxamide
CID 19575410
3-(3-methyl-4-nitropyrazol-1-yl)propanehydrazide
CID 7018422
N-(2-methoxy-5-methylphenyl)-3-(3-methyl-4-nitropyrazol-1-yl)propanamide
CID 19539774
1-ethyl-N-(furan-2-ylmethyl)-4-[3-(3-methoxy-4-nitropyrazol-1-yl)propanoylamino]pyrazole-3-carboxamide
CID 19558202
3-(3-methyl-4-nitropyrazol-1-yl)-N-propylpropanamide
CID 19539837
N-(3-chloro-2-methylphenyl)-3-(3-methyl-4-nitropyrazol-1-yl)propanamide
CID 19539727
4-[(4-chloro-3-nitrobenzoyl)amino]-1-ethyl-N-methylpyrazole-3-carboxamide
CID 19410898

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-methyl-4-[3-(3-methyl-4-nitropyrazol-1-yl)propanoylamino]pyrazole-3-carboxamide?
The IUPAC name of 1-ethyl-N-methyl-4-[3-(3-methyl-4-nitropyrazol-1-yl)propanoylamino]pyrazole-3-carboxamide (CID 19539981) is 1-ethyl-N-methyl-4-[3-(3-methyl-4-nitropyrazol-1-yl)propanoylamino]pyrazole-3-carboxamide.
What is the SMILES notation for 1-ethyl-N-methyl-4-[3-(3-methyl-4-nitropyrazol-1-yl)propanoylamino]pyrazole-3-carboxamide?
The canonical SMILES for 1-ethyl-N-methyl-4-[3-(3-methyl-4-nitropyrazol-1-yl)propanoylamino]pyrazole-3-carboxamide is CCn1cc(NC(=O)CCn2cc([N+](=O)[O-])c(C)n2)c(C(=O)NC)n1.
What is the InChIKey of 1-ethyl-N-methyl-4-[3-(3-methyl-4-nitropyrazol-1-yl)propanoylamino]pyrazole-3-carboxamide?
The InChIKey is OBBXVQAWEFWEMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N7O4/c1-4-19-7-10(13(18-19)14(23)15-3)16-12(22)5-6-20-8-11(21(24)25)9(2)17-20/h7-8H,4-6H2,1-3H3,(H,15,23)(H,16,22).
What are the key properties of 1-ethyl-N-methyl-4-[3-(3-methyl-4-nitropyrazol-1-yl)propanoylamino]pyrazole-3-carboxamide?
1-ethyl-N-methyl-4-[3-(3-methyl-4-nitropyrazol-1-yl)propanoylamino]pyrazole-3-carboxamide has a molecular weight of 349.35 g/mol, XLogP of 0.70, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-methyl-4-[3-(3-methyl-4-nitropyrazol-1-yl)propanoylamino]pyrazole-3-carboxamide is sourced from PubChem (CID 19539981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).