N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide

C19H17F3N4O2 — CID 135094707

IUPACN-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
SMILESO=C(N[C@@H]1COC[C@H]1Cc1ccnc2ccccc12)c1cc(C(F)(F)F)[nH]n1
InChIInChI=1S/C19H17F3N4O2/c20-19(21,22)17-8-15(25-26-17)18(27)24-16-10-28-9-12(16)7-11-5-6-23-14-4-2-1-3-13(11)14/h1-6,8,12,16H,7,9-10H2,(H,24,27)(H,25,26)/t12-,16-/m1/s1
InChIKeyZEYYTKMBLAVDDA-MLGOLLRUSA-N
MW390.37 g/mol
LogP2.96
Rot. Bonds4

About N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide

N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide (PubChem CID 135094707) has the molecular formula C19H17F3N4O2 and a molecular weight of 390.37 g/mol. Its IUPAC name is N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
PubChem CID135094707
Molecular FormulaC19H17F3N4O2
Molecular Weight390.37 g/mol
Exact Mass390.13
IUPAC NameN-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
SMILESO=C(N[C@@H]1COC[C@H]1Cc1ccnc2ccccc12)c1cc(C(F)(F)F)[nH]n1
InChIInChI=1S/C19H17F3N4O2/c20-19(21,22)17-8-15(25-26-17)18(27)24-16-10-28-9-12(16)7-11-5-6-23-14-4-2-1-3-13(11)14/h1-6,8,12,16H,7,9-10H2,(H,24,27)(H,25,26)/t12-,16-/m1/s1
InChIKeyZEYYTKMBLAVDDA-MLGOLLRUSA-N
XLogP2.96
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.37
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide with MolForge

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Related Compounds

5-cyclopropyl-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-1H-pyrazole-3-carboxamide
CID 135106187
N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-1H-pyrrole-3-carboxamide
CID 156586814
5-methyl-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-2H-triazole-4-carboxamide
CID 155917194
3-propan-2-yl-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-1,2-oxazole-5-carboxamide
CID 134711744
1-propan-2-yl-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]pyrazole-3-carboxamide
CID 135113806
2-propan-2-yloxy-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]acetamide
CID 135116730
4-amino-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]butanamide;dihydrochloride
CID 154918903
1-ethyl-2-oxo-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]pyridine-4-carboxamide
CID 135098213
N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]cyclohexanecarboxamide
CID 134703831
N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]cycloheptanecarboxamide
CID 134705202
N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-2-(2,3,6-trimethylphenoxy)acetamide
CID 135102279
2-ethyl-5-methyl-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]pyrazole-3-carboxamide
CID 134712220

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide (CID 135094707) is N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide is O=C(N[C@@H]1COC[C@H]1Cc1ccnc2ccccc12)c1cc(C(F)(F)F)[nH]n1.
What is the InChIKey of N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
The InChIKey is ZEYYTKMBLAVDDA-MLGOLLRUSA-N. The full InChI is InChI=1S/C19H17F3N4O2/c20-19(21,22)17-8-15(25-26-17)18(27)24-16-10-28-9-12(16)7-11-5-6-23-14-4-2-1-3-13(11)14/h1-6,8,12,16H,7,9-10H2,(H,24,27)(H,25,26)/t12-,16-/m1/s1.
What are the key properties of N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide has a molecular weight of 390.37 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 135094707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).