N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide

C14H17F3N6O3 — CID 19283163

IUPACN-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
SMILESCc1cc([N+](=O)[O-])nn1CCNC(=O)C(C)n1nc(C(F)(F)F)cc1C
InChIInChI=1S/C14H17F3N6O3/c1-8-7-12(23(25)26)20-21(8)5-4-18-13(24)10(3)22-9(2)6-11(19-22)14(15,16)17/h6-7,10H,4-5H2,1-3H3,(H,18,24)
InChIKeyOYNCTQIVKUBEMM-UHFFFAOYSA-N
MW374.32 g/mol
LogP2.00
Rot. Bonds6

About N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide

N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide (PubChem CID 19283163) has the molecular formula C14H17F3N6O3 and a molecular weight of 374.32 g/mol. Its IUPAC name is N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide.

Molecular Properties

Compound NameN-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
PubChem CID19283163
Molecular FormulaC14H17F3N6O3
Molecular Weight374.32 g/mol
Exact Mass374.13
IUPAC NameN-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
SMILESCc1cc([N+](=O)[O-])nn1CCNC(=O)C(C)n1nc(C(F)(F)F)cc1C
InChIInChI=1S/C14H17F3N6O3/c1-8-7-12(23(25)26)20-21(8)5-4-18-13(24)10(3)22-9(2)6-11(19-22)14(15,16)17/h6-7,10H,4-5H2,1-3H3,(H,18,24)
InChIKeyOYNCTQIVKUBEMM-UHFFFAOYSA-N
XLogP2.00
TPSA107.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.32
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The IUPAC name of N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide (CID 19283163) is N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide.
What is the SMILES notation for N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The canonical SMILES for N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide is Cc1cc([N+](=O)[O-])nn1CCNC(=O)C(C)n1nc(C(F)(F)F)cc1C.
What is the InChIKey of N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The InChIKey is OYNCTQIVKUBEMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N6O3/c1-8-7-12(23(25)26)20-21(8)5-4-18-13(24)10(3)22-9(2)6-11(19-22)14(15,16)17/h6-7,10H,4-5H2,1-3H3,(H,18,24).
What are the key properties of N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide?
N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide has a molecular weight of 374.32 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide is sourced from PubChem (CID 19283163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).