5-amino-5-(2-methylpyrazol-3-yl)-3-(trifluoromethyl)pentanoic acid

C10H14F3N3O2 — CID 165484020

IUPAC5-amino-5-(2-methylpyrazol-3-yl)-3-(trifluoromethyl)pentanoic acid
SMILESCn1nccc1C(N)CC(CC(=O)O)C(F)(F)F
InChIInChI=1S/C10H14F3N3O2/c1-16-8(2-3-15-16)7(14)4-6(5-9(17)18)10(11,12)13/h2-3,6-7H,4-5,14H2,1H3,(H,17,18)
InChIKeyCEUNQRLJRIURNP-UHFFFAOYSA-N
MW265.24 g/mol
LogP1.46
Rot. Bonds5

About 5-amino-5-(2-methylpyrazol-3-yl)-3-(trifluoromethyl)pentanoic acid

5-amino-5-(2-methylpyrazol-3-yl)-3-(trifluoromethyl)pentanoic acid (PubChem CID 165484020) has the molecular formula C10H14F3N3O2 and a molecular weight of 265.24 g/mol. Its IUPAC name is 5-amino-5-(2-methylpyrazol-3-yl)-3-(trifluoromethyl)pentanoic acid.

Molecular Properties

Compound Name5-amino-5-(2-methylpyrazol-3-yl)-3-(trifluoromethyl)pentanoic acid
PubChem CID165484020
Molecular FormulaC10H14F3N3O2
Molecular Weight265.24 g/mol
Exact Mass265.10
IUPAC Name5-amino-5-(2-methylpyrazol-3-yl)-3-(trifluoromethyl)pentanoic acid
SMILESCn1nccc1C(N)CC(CC(=O)O)C(F)(F)F
InChIInChI=1S/C10H14F3N3O2/c1-16-8(2-3-15-16)7(14)4-6(5-9(17)18)10(11,12)13/h2-3,6-7H,4-5,14H2,1H3,(H,17,18)
InChIKeyCEUNQRLJRIURNP-UHFFFAOYSA-N
XLogP1.46
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.24
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

rac-(1R,2R)-2-(1-methyl-1H-pyrazol-5-yl)cyclopropane-1-carboxylic acid
CID 124602659
2-(1-methyl-1H-pyrazol-3-yl)cyclopropane-1-carboxylic acid
CID 129321797
rac-(1R,2R)-2-[1-(propan-2-yl)-1H-pyrazol-5-yl]cyclopropane-1-carboxylic acid
CID 124745805
2-(1-methyl-1H-pyrazol-5-yl)-2-{[3-(trifluoromethyl)cyclohexyl]formamido}acetic acid
CID 132362977
2-(1-Methylpyrazol-3-yl)cyclopropane-1-carboxylic acid
CID 126855068
2-[[1-(Difluoromethyl)pyrazol-3-yl]methyl]-4-methoxy-4-oxobutanoic acid
CID 146596823
methyl (3R)-4-[[(2S)-1-aminopropan-2-yl]-methylamino]-3-[[1-(difluoromethyl)pyrazol-3-yl]methyl]-4-oxobutanoate
CID 167414666
2-[[1-(2-Ethylpyrazol-3-yl)-2,2,2-trifluoroethyl]amino]-2-(4-methylcyclohexyl)acetic acid
CID 176349368
(2S)-2-[[1-(2-ethylpyrazol-3-yl)-2,2,2-trifluoroethyl]amino]-2-(4-methylcyclohexyl)acetic acid
CID 176349372
3-[1-(Trifluoromethyl)pyrazol-3-yl]bicyclo[1.1.1]pentane-1-carboxylic acid
CID 176409708
3-[2-(Trifluoromethyl)pyrazol-3-yl]bicyclo[1.1.1]pentane-1-carboxylic acid
CID 176409820
2-(1-methyl-1H-pyrazol-5-yl)cyclopropane-1-carboxylic acid
CID 91819591

Frequently Asked Questions

What is the IUPAC name of 5-amino-5-(2-methylpyrazol-3-yl)-3-(trifluoromethyl)pentanoic acid?
The IUPAC name of 5-amino-5-(2-methylpyrazol-3-yl)-3-(trifluoromethyl)pentanoic acid (CID 165484020) is 5-amino-5-(2-methylpyrazol-3-yl)-3-(trifluoromethyl)pentanoic acid.
What is the SMILES notation for 5-amino-5-(2-methylpyrazol-3-yl)-3-(trifluoromethyl)pentanoic acid?
The canonical SMILES for 5-amino-5-(2-methylpyrazol-3-yl)-3-(trifluoromethyl)pentanoic acid is Cn1nccc1C(N)CC(CC(=O)O)C(F)(F)F.
What is the InChIKey of 5-amino-5-(2-methylpyrazol-3-yl)-3-(trifluoromethyl)pentanoic acid?
The InChIKey is CEUNQRLJRIURNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O2/c1-16-8(2-3-15-16)7(14)4-6(5-9(17)18)10(11,12)13/h2-3,6-7H,4-5,14H2,1H3,(H,17,18).
What are the key properties of 5-amino-5-(2-methylpyrazol-3-yl)-3-(trifluoromethyl)pentanoic acid?
5-amino-5-(2-methylpyrazol-3-yl)-3-(trifluoromethyl)pentanoic acid has a molecular weight of 265.24 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-5-(2-methylpyrazol-3-yl)-3-(trifluoromethyl)pentanoic acid is sourced from PubChem (CID 165484020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).