5-methyl-N-[[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrazol-3-amine

C15H20F3N5O — CID 154761447

IUPAC5-methyl-N-[[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrazol-3-amine
SMILESCc1cc(NC[C@H]2CCO[C@@H]2c2cnn(C)c2)nn1CC(F)(F)F
InChIInChI=1S/C15H20F3N5O/c1-10-5-13(21-23(10)9-15(16,17)18)19-6-11-3-4-24-14(11)12-7-20-22(2)8-12/h5,7-8,11,14H,3-4,6,9H2,1-2H3,(H,19,21)/t11-,14+/m1/s1
InChIKeyBNEMDVUCYVPYIO-RISCZKNCSA-N
MW343.35 g/mol
LogP2.68
Rot. Bonds5

About 5-methyl-N-[[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrazol-3-amine

5-methyl-N-[[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrazol-3-amine (PubChem CID 154761447) has the molecular formula C15H20F3N5O and a molecular weight of 343.35 g/mol. Its IUPAC name is 5-methyl-N-[[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrazol-3-amine.

Molecular Properties

Compound Name5-methyl-N-[[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrazol-3-amine
PubChem CID154761447
Molecular FormulaC15H20F3N5O
Molecular Weight343.35 g/mol
Exact Mass343.16
IUPAC Name5-methyl-N-[[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrazol-3-amine
SMILESCc1cc(NC[C@H]2CCO[C@@H]2c2cnn(C)c2)nn1CC(F)(F)F
InChIInChI=1S/C15H20F3N5O/c1-10-5-13(21-23(10)9-15(16,17)18)19-6-11-3-4-24-14(11)12-7-20-22(2)8-12/h5,7-8,11,14H,3-4,6,9H2,1-2H3,(H,19,21)/t11-,14+/m1/s1
InChIKeyBNEMDVUCYVPYIO-RISCZKNCSA-N
XLogP2.68
TPSA56.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.35
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 97006937
N-[(1-ethylpyrazol-4-yl)methyl]-1-[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methanamine
CID 97060263
1-[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-N-(thiophen-2-ylmethyl)methanamine
CID 97075466
N-[(3-methylimidazol-4-yl)methyl]-1-[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methanamine
CID 154761416
N-[(1-ethylpyrazol-4-yl)methyl]-1-[2-(1-methylpyrazol-4-yl)oxolan-3-yl]methanamine
CID 71929279
1-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-N-(thiophen-2-ylmethyl)methanamine
CID 97075465
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-[2-(1-methylpyrazol-4-yl)oxolan-3-yl]methanamine
CID 71929312
1-[2-(1-methylpyrazol-4-yl)oxolan-3-yl]-N-(thiophen-3-ylmethyl)methanamine
CID 71873043
1-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-N-[(1-methylpyrrol-2-yl)methyl]methanamine
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N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methanamine
CID 97002741
N-[[2-(1-methylpyrazol-4-yl)oxan-3-yl]methyl]propan-2-amine
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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrazol-3-amine?
The IUPAC name of 5-methyl-N-[[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrazol-3-amine (CID 154761447) is 5-methyl-N-[[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrazol-3-amine.
What is the SMILES notation for 5-methyl-N-[[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrazol-3-amine?
The canonical SMILES for 5-methyl-N-[[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrazol-3-amine is Cc1cc(NC[C@H]2CCO[C@@H]2c2cnn(C)c2)nn1CC(F)(F)F.
What is the InChIKey of 5-methyl-N-[[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrazol-3-amine?
The InChIKey is BNEMDVUCYVPYIO-RISCZKNCSA-N. The full InChI is InChI=1S/C15H20F3N5O/c1-10-5-13(21-23(10)9-15(16,17)18)19-6-11-3-4-24-14(11)12-7-20-22(2)8-12/h5,7-8,11,14H,3-4,6,9H2,1-2H3,(H,19,21)/t11-,14+/m1/s1.
What are the key properties of 5-methyl-N-[[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrazol-3-amine?
5-methyl-N-[[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrazol-3-amine has a molecular weight of 343.35 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrazol-3-amine is sourced from PubChem (CID 154761447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).