3-(4-chloro-3-nitropyrazol-1-yl)-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]propanamide

C11H10ClF3N6O3 — CID 19585384

IUPAC3-(4-chloro-3-nitropyrazol-1-yl)-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]propanamide
SMILESCc1[nH]nc(C(F)(F)F)c1NC(=O)CCn1cc(Cl)c([N+](=O)[O-])n1
InChIInChI=1S/C11H10ClF3N6O3/c1-5-8(9(18-17-5)11(13,14)15)16-7(22)2-3-20-4-6(12)10(19-20)21(23)24/h4H,2-3H2,1H3,(H,16,22)(H,17,18)
InChIKeySVMCCVJGHNRPCB-UHFFFAOYSA-N
MW366.69 g/mol
LogP2.52
Rot. Bonds5

About 3-(4-chloro-3-nitropyrazol-1-yl)-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]propanamide

3-(4-chloro-3-nitropyrazol-1-yl)-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]propanamide (PubChem CID 19585384) has the molecular formula C11H10ClF3N6O3 and a molecular weight of 366.69 g/mol. Its IUPAC name is 3-(4-chloro-3-nitropyrazol-1-yl)-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]propanamide.

Molecular Properties

Compound Name3-(4-chloro-3-nitropyrazol-1-yl)-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]propanamide
PubChem CID19585384
Molecular FormulaC11H10ClF3N6O3
Molecular Weight366.69 g/mol
Exact Mass366.05
IUPAC Name3-(4-chloro-3-nitropyrazol-1-yl)-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]propanamide
SMILESCc1[nH]nc(C(F)(F)F)c1NC(=O)CCn1cc(Cl)c([N+](=O)[O-])n1
InChIInChI=1S/C11H10ClF3N6O3/c1-5-8(9(18-17-5)11(13,14)15)16-7(22)2-3-20-4-6(12)10(19-20)21(23)24/h4H,2-3H2,1H3,(H,16,22)(H,17,18)
InChIKeySVMCCVJGHNRPCB-UHFFFAOYSA-N
XLogP2.52
TPSA118.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.69
LogP ≤ 52.52
H-Bond Donors ≤ 52
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 3-(4-chloro-3-nitropyrazol-1-yl)-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]propanamide?
The IUPAC name of 3-(4-chloro-3-nitropyrazol-1-yl)-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]propanamide (CID 19585384) is 3-(4-chloro-3-nitropyrazol-1-yl)-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]propanamide.
What is the SMILES notation for 3-(4-chloro-3-nitropyrazol-1-yl)-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]propanamide?
The canonical SMILES for 3-(4-chloro-3-nitropyrazol-1-yl)-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]propanamide is Cc1[nH]nc(C(F)(F)F)c1NC(=O)CCn1cc(Cl)c([N+](=O)[O-])n1.
What is the InChIKey of 3-(4-chloro-3-nitropyrazol-1-yl)-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]propanamide?
The InChIKey is SVMCCVJGHNRPCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF3N6O3/c1-5-8(9(18-17-5)11(13,14)15)16-7(22)2-3-20-4-6(12)10(19-20)21(23)24/h4H,2-3H2,1H3,(H,16,22)(H,17,18).
What are the key properties of 3-(4-chloro-3-nitropyrazol-1-yl)-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]propanamide?
3-(4-chloro-3-nitropyrazol-1-yl)-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]propanamide has a molecular weight of 366.69 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-3-nitropyrazol-1-yl)-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]propanamide is sourced from PubChem (CID 19585384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).