[3-[(1-methylpyrazol-4-yl)-(2,2,2-trifluoroacetyl)amino]cyclopentyl]azanium chloride

C11H16ClF3N4O — CID 155388447

IUPAC[3-[(1-methylpyrazol-4-yl)-(2,2,2-trifluoroacetyl)amino]cyclopentyl]azanium chloride
SMILESCn1cc(N(C(=O)C(F)(F)F)C2CCC([NH3+])C2)cn1.[Cl-]
InChIInChI=1S/C11H15F3N4O.ClH/c1-17-6-9(5-16-17)18(10(19)11(12,13)14)8-3-2-7(15)4-8;/h5-8H,2-4,15H2,1H3;1H
InChIKeyZVLYNUCLTDFSIJ-UHFFFAOYSA-N
MW312.72 g/mol
LogP-2.52
Rot. Bonds2

About [3-[(1-methylpyrazol-4-yl)-(2,2,2-trifluoroacetyl)amino]cyclopentyl]azanium chloride

[3-[(1-methylpyrazol-4-yl)-(2,2,2-trifluoroacetyl)amino]cyclopentyl]azanium chloride (PubChem CID 155388447) has the molecular formula C11H16ClF3N4O and a molecular weight of 312.72 g/mol. Its IUPAC name is [3-[(1-methylpyrazol-4-yl)-(2,2,2-trifluoroacetyl)amino]cyclopentyl]azanium chloride.

Molecular Properties

Compound Name[3-[(1-methylpyrazol-4-yl)-(2,2,2-trifluoroacetyl)amino]cyclopentyl]azanium chloride
PubChem CID155388447
Molecular FormulaC11H16ClF3N4O
Molecular Weight312.72 g/mol
Exact Mass312.10
IUPAC Name[3-[(1-methylpyrazol-4-yl)-(2,2,2-trifluoroacetyl)amino]cyclopentyl]azanium chloride
SMILESCn1cc(N(C(=O)C(F)(F)F)C2CCC([NH3+])C2)cn1.[Cl-]
InChIInChI=1S/C11H15F3N4O.ClH/c1-17-6-9(5-16-17)18(10(19)11(12,13)14)8-3-2-7(15)4-8;/h5-8H,2-4,15H2,1H3;1H
InChIKeyZVLYNUCLTDFSIJ-UHFFFAOYSA-N
XLogP-2.52
TPSA65.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.72
LogP ≤ 5-2.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-Amino-1h-pyrazol-1-yl)-1-(piperidin-1-yl)ethan-1-one
CID 28313578
3-amino-1-(1-methyl-1H-pyrazol-4-yl)piperidin-2-one
CID 54593545
2,2-dimethyl-N-[1-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]pyrazol-4-yl]propanamide
CID 71979170
3-amino-1-(1-methyl-1H-pyrazol-4-yl)pyrrolidin-2-one
CID 54594203
3-amino-5-methyl-1-(1-methyl-1H-pyrazol-4-yl)pyrrolidin-2-one
CID 56807128
2-(4-Amino-1H-pyrazol-1-yl)-N-cyclopentylacetamide hydrochloride
CID 71298695
4-amino-1-(1-methyl-1H-pyrazol-4-yl)pyrrolidin-2-one dihydrochloride
CID 102567267
2-(4-amino-1H-pyrazol-1-yl)-N-cyclopentylacetamide
CID 28313580
2-(4-Amino-pyrazol-1-yl)-1-piperidin-1-yl-ethanone hydrochloride
CID 71298688
1-Cyclopentyl-3-[1-(2-methoxyethyl)pyrazol-4-yl]-1-(3,3,3-trifluoropropyl)urea
CID 72101937
(2S)-N-methyl-N-propan-2-yl-2-[(1-propylpyrazol-4-yl)amino]propanamide
CID 97880885
(2S)-2-[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]-N-methyl-N-propan-2-ylpropanamide
CID 99822985

Frequently Asked Questions

What is the IUPAC name of [3-[(1-methylpyrazol-4-yl)-(2,2,2-trifluoroacetyl)amino]cyclopentyl]azanium chloride?
The IUPAC name of [3-[(1-methylpyrazol-4-yl)-(2,2,2-trifluoroacetyl)amino]cyclopentyl]azanium chloride (CID 155388447) is [3-[(1-methylpyrazol-4-yl)-(2,2,2-trifluoroacetyl)amino]cyclopentyl]azanium chloride.
What is the SMILES notation for [3-[(1-methylpyrazol-4-yl)-(2,2,2-trifluoroacetyl)amino]cyclopentyl]azanium chloride?
The canonical SMILES for [3-[(1-methylpyrazol-4-yl)-(2,2,2-trifluoroacetyl)amino]cyclopentyl]azanium chloride is Cn1cc(N(C(=O)C(F)(F)F)C2CCC([NH3+])C2)cn1.[Cl-].
What is the InChIKey of [3-[(1-methylpyrazol-4-yl)-(2,2,2-trifluoroacetyl)amino]cyclopentyl]azanium chloride?
The InChIKey is ZVLYNUCLTDFSIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4O.ClH/c1-17-6-9(5-16-17)18(10(19)11(12,13)14)8-3-2-7(15)4-8;/h5-8H,2-4,15H2,1H3;1H.
What are the key properties of [3-[(1-methylpyrazol-4-yl)-(2,2,2-trifluoroacetyl)amino]cyclopentyl]azanium chloride?
[3-[(1-methylpyrazol-4-yl)-(2,2,2-trifluoroacetyl)amino]cyclopentyl]azanium chloride has a molecular weight of 312.72 g/mol, XLogP of -2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(1-methylpyrazol-4-yl)-(2,2,2-trifluoroacetyl)amino]cyclopentyl]azanium chloride is sourced from PubChem (CID 155388447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).