1-methyl-5-[(Z)-(1-methylpyrrolidin-2-ylidene)methyl]-4-nitropyrazole

C10H14N4O2 — CID 1423020

IUPAC1-methyl-5-[(Z)-(1-methylpyrrolidin-2-ylidene)methyl]-4-nitropyrazole
SMILESCN1CCC/C1=C/c1c([N+](=O)[O-])cnn1C
InChIInChI=1S/C10H14N4O2/c1-12-5-3-4-8(12)6-9-10(14(15)16)7-11-13(9)2/h6-7H,3-5H2,1-2H3/b8-6-
InChIKeyFXLPOKPRQQEBAL-VURMDHGXSA-N
MW222.25 g/mol
LogP1.39
Rot. Bonds2

About 1-methyl-5-[(Z)-(1-methylpyrrolidin-2-ylidene)methyl]-4-nitropyrazole

1-methyl-5-[(Z)-(1-methylpyrrolidin-2-ylidene)methyl]-4-nitropyrazole (PubChem CID 1423020) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is 1-methyl-5-[(Z)-(1-methylpyrrolidin-2-ylidene)methyl]-4-nitropyrazole.

Molecular Properties

Compound Name1-methyl-5-[(Z)-(1-methylpyrrolidin-2-ylidene)methyl]-4-nitropyrazole
PubChem CID1423020
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC Name1-methyl-5-[(Z)-(1-methylpyrrolidin-2-ylidene)methyl]-4-nitropyrazole
SMILESCN1CCC/C1=C/c1c([N+](=O)[O-])cnn1C
InChIInChI=1S/C10H14N4O2/c1-12-5-3-4-8(12)6-9-10(14(15)16)7-11-13(9)2/h6-7H,3-5H2,1-2H3/b8-6-
InChIKeyFXLPOKPRQQEBAL-VURMDHGXSA-N
XLogP1.39
TPSA64.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-4-nitropyrazol-5-amine
CID 62096525
1-methyl-4-nitro-5-propan-2-ylpyrazole
CID 83381679
5-ethyl-1-methyl-4-nitropyrazole
CID 154882110
1-methyl-5-methylsulfonyl-4-nitropyrazole
CID 105457047
4-methyl-1-(1-methyl-4-nitropyrazol-5-yl)azepan-4-ol
CID 86679984
5-methyl-3-nitro-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 135241053
1-methyl-N-morpholin-4-yl-4-nitropyrazole-5-carboxamide
CID 4767952
(2Z)-2-(1-methylpyrrolidin-2-ylidene)-2-nitroacetonitrile
CID 14570565
5-(1-methyl-4-nitropyrazol-5-yl)pyrimidine
CID 102336741
1-methyl-N-(2-morpholin-4-ylethyl)-4-nitropyrazole-5-carboxamide
CID 19478535
5-(3,4-dihydro-2H-pyran-6-yl)-1-methyl-4-nitropyrazole
CID 90072281
3,3-bis(1-methyl-4-nitropyrazol-5-yl)azepane
CID 174732706

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[(Z)-(1-methylpyrrolidin-2-ylidene)methyl]-4-nitropyrazole?
The IUPAC name of 1-methyl-5-[(Z)-(1-methylpyrrolidin-2-ylidene)methyl]-4-nitropyrazole (CID 1423020) is 1-methyl-5-[(Z)-(1-methylpyrrolidin-2-ylidene)methyl]-4-nitropyrazole.
What is the SMILES notation for 1-methyl-5-[(Z)-(1-methylpyrrolidin-2-ylidene)methyl]-4-nitropyrazole?
The canonical SMILES for 1-methyl-5-[(Z)-(1-methylpyrrolidin-2-ylidene)methyl]-4-nitropyrazole is CN1CCC/C1=C/c1c([N+](=O)[O-])cnn1C.
What is the InChIKey of 1-methyl-5-[(Z)-(1-methylpyrrolidin-2-ylidene)methyl]-4-nitropyrazole?
The InChIKey is FXLPOKPRQQEBAL-VURMDHGXSA-N. The full InChI is InChI=1S/C10H14N4O2/c1-12-5-3-4-8(12)6-9-10(14(15)16)7-11-13(9)2/h6-7H,3-5H2,1-2H3/b8-6-.
What are the key properties of 1-methyl-5-[(Z)-(1-methylpyrrolidin-2-ylidene)methyl]-4-nitropyrazole?
1-methyl-5-[(Z)-(1-methylpyrrolidin-2-ylidene)methyl]-4-nitropyrazole has a molecular weight of 222.25 g/mol, XLogP of 1.39, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[(Z)-(1-methylpyrrolidin-2-ylidene)methyl]-4-nitropyrazole is sourced from PubChem (CID 1423020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).