1,3,5-trimethyl-4-[(4-nitropyrazol-1-yl)methyl]pyrazole

C10H13N5O2 — CID 17025992

IUPAC1,3,5-trimethyl-4-[(4-nitropyrazol-1-yl)methyl]pyrazole
SMILESCc1nn(C)c(C)c1Cn1cc([N+](=O)[O-])cn1
InChIInChI=1S/C10H13N5O2/c1-7-10(8(2)13(3)12-7)6-14-5-9(4-11-14)15(16)17/h4-5H,6H2,1-3H3
InChIKeyMBNUPDPYRUGQGG-UHFFFAOYSA-N
MW235.25 g/mol
LogP1.19
Rot. Bonds3

About 1,3,5-trimethyl-4-[(4-nitropyrazol-1-yl)methyl]pyrazole

1,3,5-trimethyl-4-[(4-nitropyrazol-1-yl)methyl]pyrazole (PubChem CID 17025992) has the molecular formula C10H13N5O2 and a molecular weight of 235.25 g/mol. Its IUPAC name is 1,3,5-trimethyl-4-[(4-nitropyrazol-1-yl)methyl]pyrazole.

Molecular Properties

Compound Name1,3,5-trimethyl-4-[(4-nitropyrazol-1-yl)methyl]pyrazole
PubChem CID17025992
Molecular FormulaC10H13N5O2
Molecular Weight235.25 g/mol
Exact Mass235.11
IUPAC Name1,3,5-trimethyl-4-[(4-nitropyrazol-1-yl)methyl]pyrazole
SMILESCc1nn(C)c(C)c1Cn1cc([N+](=O)[O-])cn1
InChIInChI=1S/C10H13N5O2/c1-7-10(8(2)13(3)12-7)6-14-5-9(4-11-14)15(16)17/h4-5H,6H2,1-3H3
InChIKeyMBNUPDPYRUGQGG-UHFFFAOYSA-N
XLogP1.19
TPSA78.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 51.19
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-4-[(4-nitropyrazol-1-yl)methyl]pyrazole?
The IUPAC name of 1,3,5-trimethyl-4-[(4-nitropyrazol-1-yl)methyl]pyrazole (CID 17025992) is 1,3,5-trimethyl-4-[(4-nitropyrazol-1-yl)methyl]pyrazole.
What is the SMILES notation for 1,3,5-trimethyl-4-[(4-nitropyrazol-1-yl)methyl]pyrazole?
The canonical SMILES for 1,3,5-trimethyl-4-[(4-nitropyrazol-1-yl)methyl]pyrazole is Cc1nn(C)c(C)c1Cn1cc([N+](=O)[O-])cn1.
What is the InChIKey of 1,3,5-trimethyl-4-[(4-nitropyrazol-1-yl)methyl]pyrazole?
The InChIKey is MBNUPDPYRUGQGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2/c1-7-10(8(2)13(3)12-7)6-14-5-9(4-11-14)15(16)17/h4-5H,6H2,1-3H3.
What are the key properties of 1,3,5-trimethyl-4-[(4-nitropyrazol-1-yl)methyl]pyrazole?
1,3,5-trimethyl-4-[(4-nitropyrazol-1-yl)methyl]pyrazole has a molecular weight of 235.25 g/mol, XLogP of 1.19, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-4-[(4-nitropyrazol-1-yl)methyl]pyrazole is sourced from PubChem (CID 17025992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).