3-(5-methyl-3-nitropyrazol-1-yl)-N-[(Z)-pyridin-4-ylmethylideneamino]propanamide

C13H14N6O3 — CID 6210816

IUPAC3-(5-methyl-3-nitropyrazol-1-yl)-N-[(Z)-pyridin-4-ylmethylideneamino]propanamide
SMILESCc1cc([N+](=O)[O-])nn1CCC(=O)N/N=C\c1ccncc1
InChIInChI=1S/C13H14N6O3/c1-10-8-12(19(21)22)17-18(10)7-4-13(20)16-15-9-11-2-5-14-6-3-11/h2-3,5-6,8-9H,4,7H2,1H3,(H,16,20)/b15-9-
InChIKeyFWHOBYJOXQWGRQ-DHDCSXOGSA-N
MW302.29 g/mol
LogP1.04
Rot. Bonds6

About 3-(5-methyl-3-nitropyrazol-1-yl)-N-[(Z)-pyridin-4-ylmethylideneamino]propanamide

3-(5-methyl-3-nitropyrazol-1-yl)-N-[(Z)-pyridin-4-ylmethylideneamino]propanamide (PubChem CID 6210816) has the molecular formula C13H14N6O3 and a molecular weight of 302.29 g/mol. Its IUPAC name is 3-(5-methyl-3-nitropyrazol-1-yl)-N-[(Z)-pyridin-4-ylmethylideneamino]propanamide.

Molecular Properties

Compound Name3-(5-methyl-3-nitropyrazol-1-yl)-N-[(Z)-pyridin-4-ylmethylideneamino]propanamide
PubChem CID6210816
Molecular FormulaC13H14N6O3
Molecular Weight302.29 g/mol
Exact Mass302.11
IUPAC Name3-(5-methyl-3-nitropyrazol-1-yl)-N-[(Z)-pyridin-4-ylmethylideneamino]propanamide
SMILESCc1cc([N+](=O)[O-])nn1CCC(=O)N/N=C\c1ccncc1
InChIInChI=1S/C13H14N6O3/c1-10-8-12(19(21)22)17-18(10)7-4-13(20)16-15-9-11-2-5-14-6-3-11/h2-3,5-6,8-9H,4,7H2,1H3,(H,16,20)/b15-9-
InChIKeyFWHOBYJOXQWGRQ-DHDCSXOGSA-N
XLogP1.04
TPSA115.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.29
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]-3-(5-methyl-3-nitropyrazol-1-yl)propanamide
CID 119055877
3-(5-methyl-3-nitropyrazol-1-yl)-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]propanamide
CID 19283152
N-[[4-(dimethylamino)phenyl]methylideneamino]-3-(3,5-dimethylpyrazol-1-yl)propanamide
CID 917196
N-[(Z)-(5-fluorothiophen-2-yl)methylideneamino]-2-(5-methyl-3-nitropyrazol-1-yl)acetamide
CID 124848723
3-(5-methyl-3-nitropyrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 19541717
N-[(Z)-pyridin-4-ylmethylideneamino]propanamide
CID 29172527
N-[(E)-pyridin-4-ylmethylideneamino]hexadecanamide
CID 45055038
1-methyl-4-nitro-N-[(E)-pyridin-4-ylmethylideneamino]pyrazole-3-carboxamide
CID 6873023
1-methyl-4-nitro-N-(pyridin-4-ylmethylideneamino)pyrazole-3-carboxamide
CID 903030
N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(5-methyl-3-nitropyrazol-1-yl)propanamide
CID 19541940
N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-3-(3,5-dimethylpyrazol-1-yl)propanamide
CID 135517055
N-(4-ethoxy-2-nitrophenyl)-3-(5-methyl-3-nitropyrazol-1-yl)propanamide
CID 19541775

Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-3-nitropyrazol-1-yl)-N-[(Z)-pyridin-4-ylmethylideneamino]propanamide?
The IUPAC name of 3-(5-methyl-3-nitropyrazol-1-yl)-N-[(Z)-pyridin-4-ylmethylideneamino]propanamide (CID 6210816) is 3-(5-methyl-3-nitropyrazol-1-yl)-N-[(Z)-pyridin-4-ylmethylideneamino]propanamide.
What is the SMILES notation for 3-(5-methyl-3-nitropyrazol-1-yl)-N-[(Z)-pyridin-4-ylmethylideneamino]propanamide?
The canonical SMILES for 3-(5-methyl-3-nitropyrazol-1-yl)-N-[(Z)-pyridin-4-ylmethylideneamino]propanamide is Cc1cc([N+](=O)[O-])nn1CCC(=O)N/N=C\c1ccncc1.
What is the InChIKey of 3-(5-methyl-3-nitropyrazol-1-yl)-N-[(Z)-pyridin-4-ylmethylideneamino]propanamide?
The InChIKey is FWHOBYJOXQWGRQ-DHDCSXOGSA-N. The full InChI is InChI=1S/C13H14N6O3/c1-10-8-12(19(21)22)17-18(10)7-4-13(20)16-15-9-11-2-5-14-6-3-11/h2-3,5-6,8-9H,4,7H2,1H3,(H,16,20)/b15-9-.
What are the key properties of 3-(5-methyl-3-nitropyrazol-1-yl)-N-[(Z)-pyridin-4-ylmethylideneamino]propanamide?
3-(5-methyl-3-nitropyrazol-1-yl)-N-[(Z)-pyridin-4-ylmethylideneamino]propanamide has a molecular weight of 302.29 g/mol, XLogP of 1.04, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-3-nitropyrazol-1-yl)-N-[(Z)-pyridin-4-ylmethylideneamino]propanamide is sourced from PubChem (CID 6210816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).