(3R)-3-(1H-pyrazol-4-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoic acid

C10H11F3N2O2 — CID 165405158

IUPAC(3R)-3-(1H-pyrazol-4-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoic acid
SMILESO=C(O)C[C@H](c1cn[nH]c1)C1(C(F)(F)F)CC1
InChIInChI=1S/C10H11F3N2O2/c11-10(12,13)9(1-2-9)7(3-8(16)17)6-4-14-15-5-6/h4-5,7H,1-3H2,(H,14,15)(H,16,17)/t7-/m1/s1
InChIKeyHGTBYUALWJDIRI-SSDOTTSWSA-N
MW248.20 g/mol
LogP2.31
Rot. Bonds4

About (3R)-3-(1H-pyrazol-4-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoic acid

(3R)-3-(1H-pyrazol-4-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoic acid (PubChem CID 165405158) has the molecular formula C10H11F3N2O2 and a molecular weight of 248.20 g/mol. Its IUPAC name is (3R)-3-(1H-pyrazol-4-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoic acid.

Molecular Properties

Compound Name(3R)-3-(1H-pyrazol-4-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoic acid
PubChem CID165405158
Molecular FormulaC10H11F3N2O2
Molecular Weight248.20 g/mol
Exact Mass248.08
IUPAC Name(3R)-3-(1H-pyrazol-4-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoic acid
SMILESO=C(O)C[C@H](c1cn[nH]c1)C1(C(F)(F)F)CC1
InChIInChI=1S/C10H11F3N2O2/c11-10(12,13)9(1-2-9)7(3-8(16)17)6-4-14-15-5-6/h4-5,7H,1-3H2,(H,14,15)(H,16,17)/t7-/m1/s1
InChIKeyHGTBYUALWJDIRI-SSDOTTSWSA-N
XLogP2.31
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.20
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(1H-pyrazol-4-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoic acid?
The IUPAC name of (3R)-3-(1H-pyrazol-4-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoic acid (CID 165405158) is (3R)-3-(1H-pyrazol-4-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoic acid.
What is the SMILES notation for (3R)-3-(1H-pyrazol-4-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoic acid?
The canonical SMILES for (3R)-3-(1H-pyrazol-4-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoic acid is O=C(O)C[C@H](c1cn[nH]c1)C1(C(F)(F)F)CC1.
What is the InChIKey of (3R)-3-(1H-pyrazol-4-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoic acid?
The InChIKey is HGTBYUALWJDIRI-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H11F3N2O2/c11-10(12,13)9(1-2-9)7(3-8(16)17)6-4-14-15-5-6/h4-5,7H,1-3H2,(H,14,15)(H,16,17)/t7-/m1/s1.
What are the key properties of (3R)-3-(1H-pyrazol-4-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoic acid?
(3R)-3-(1H-pyrazol-4-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoic acid has a molecular weight of 248.20 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(1H-pyrazol-4-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoic acid is sourced from PubChem (CID 165405158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).