N-(3-amino-3-oxopropyl)-5-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide

C9H11F3N4O2 — CID 176995819

IUPACN-(3-amino-3-oxopropyl)-5-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
SMILESCc1[nH]nc(C(F)(F)F)c1C(=O)NCCC(N)=O
InChIInChI=1S/C9H11F3N4O2/c1-4-6(7(16-15-4)9(10,11)12)8(18)14-3-2-5(13)17/h2-3H2,1H3,(H2,13,17)(H,14,18)(H,15,16)
InChIKeyDVOLPRQFENNSIN-UHFFFAOYSA-N
MW264.21 g/mol
LogP0.34
Rot. Bonds4

About N-(3-amino-3-oxopropyl)-5-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide

N-(3-amino-3-oxopropyl)-5-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide (PubChem CID 176995819) has the molecular formula C9H11F3N4O2 and a molecular weight of 264.21 g/mol. Its IUPAC name is N-(3-amino-3-oxopropyl)-5-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-amino-3-oxopropyl)-5-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
PubChem CID176995819
Molecular FormulaC9H11F3N4O2
Molecular Weight264.21 g/mol
Exact Mass264.08
IUPAC NameN-(3-amino-3-oxopropyl)-5-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
SMILESCc1[nH]nc(C(F)(F)F)c1C(=O)NCCC(N)=O
InChIInChI=1S/C9H11F3N4O2/c1-4-6(7(16-15-4)9(10,11)12)8(18)14-3-2-5(13)17/h2-3H2,1H3,(H2,13,17)(H,14,18)(H,15,16)
InChIKeyDVOLPRQFENNSIN-UHFFFAOYSA-N
XLogP0.34
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.21
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-oxopropyl)-5-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(3-amino-3-oxopropyl)-5-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide (CID 176995819) is N-(3-amino-3-oxopropyl)-5-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(3-amino-3-oxopropyl)-5-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(3-amino-3-oxopropyl)-5-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide is Cc1[nH]nc(C(F)(F)F)c1C(=O)NCCC(N)=O.
What is the InChIKey of N-(3-amino-3-oxopropyl)-5-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide?
The InChIKey is DVOLPRQFENNSIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N4O2/c1-4-6(7(16-15-4)9(10,11)12)8(18)14-3-2-5(13)17/h2-3H2,1H3,(H2,13,17)(H,14,18)(H,15,16).
What are the key properties of N-(3-amino-3-oxopropyl)-5-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide?
N-(3-amino-3-oxopropyl)-5-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide has a molecular weight of 264.21 g/mol, XLogP of 0.34, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-oxopropyl)-5-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 176995819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).