N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-2,2,2-trifluoroacetamide

C10H11F3N4O2 — CID 62647515

IUPACN-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-2,2,2-trifluoroacetamide
SMILESO=C(Cn1cc(NC(=O)C(F)(F)F)cn1)NC1CC1
InChIInChI=1S/C10H11F3N4O2/c11-10(12,13)9(19)16-7-3-14-17(4-7)5-8(18)15-6-1-2-6/h3-4,6H,1-2,5H2,(H,15,18)(H,16,19)
InChIKeyVNPXQPVPAHTEJC-UHFFFAOYSA-N
MW276.22 g/mol
LogP0.66
Rot. Bonds4

About N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-2,2,2-trifluoroacetamide

N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-2,2,2-trifluoroacetamide (PubChem CID 62647515) has the molecular formula C10H11F3N4O2 and a molecular weight of 276.22 g/mol. Its IUPAC name is N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-2,2,2-trifluoroacetamide
PubChem CID62647515
Molecular FormulaC10H11F3N4O2
Molecular Weight276.22 g/mol
Exact Mass276.08
IUPAC NameN-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-2,2,2-trifluoroacetamide
SMILESO=C(Cn1cc(NC(=O)C(F)(F)F)cn1)NC1CC1
InChIInChI=1S/C10H11F3N4O2/c11-10(12,13)9(19)16-7-3-14-17(4-7)5-8(18)15-6-1-2-6/h3-4,6H,1-2,5H2,(H,15,18)(H,16,19)
InChIKeyVNPXQPVPAHTEJC-UHFFFAOYSA-N
XLogP0.66
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.22
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-amino-1H-pyrazol-1-yl)-N-methylacetamide
CID 28065173
2-(4-amino-1H-pyrazol-1-yl)acetamide
CID 28373947
2-(4-amino-1H-pyrazol-1-yl)-N-cyclopropylacetamide
CID 28373958
2-(4-amino-1H-pyrazol-1-yl)-N,N-dimethylacetamide
CID 28280666
2-(4-amino-1H-pyrazol-1-yl)-1-(4-methylpiperazin-1-yl)ethan-1-one
CID 28379290
1-(1-Methyl-1H-pyrazol-4-yl)-2-piperazinone
CID 64263444
3-(4-amino-1H-pyrazol-1-yl)pyrrolidin-2-one
CID 137698641
2,2-dimethyl-N-[1-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]pyrazol-4-yl]propanamide
CID 71979170
2-(4-amino-1H-pyrazol-1-yl)-N-(cyanomethyl)acetamide
CID 28373998
2-(4-Amino-1H-pyrazol-1-yl)-N-methylacetamide--hydrogen chloride (1/1)
CID 50998519
2-(4-Amino-1H-pyrazol-1-yl)-N-cyclopentylacetamide hydrochloride
CID 71298695
1-(1-methyl-1H-pyrazol-4-yl)piperazin-2-one dihydrochloride
CID 170914050

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-2,2,2-trifluoroacetamide (CID 62647515) is N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-2,2,2-trifluoroacetamide is O=C(Cn1cc(NC(=O)C(F)(F)F)cn1)NC1CC1.
What is the InChIKey of N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-2,2,2-trifluoroacetamide?
The InChIKey is VNPXQPVPAHTEJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N4O2/c11-10(12,13)9(19)16-7-3-14-17(4-7)5-8(18)15-6-1-2-6/h3-4,6H,1-2,5H2,(H,15,18)(H,16,19).
What are the key properties of N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-2,2,2-trifluoroacetamide?
N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-2,2,2-trifluoroacetamide has a molecular weight of 276.22 g/mol, XLogP of 0.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 62647515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).