2-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]acetamide

C16H25F3N4O — CID 95608923

IUPAC2-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]acetamide
SMILESCc1cnn(C[C@H](C)NCC(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)c1
InChIInChI=1S/C16H25F3N4O/c1-11-7-21-23(9-11)10-12(2)20-8-15(24)22-14-5-3-4-13(6-14)16(17,18)19/h7,9,12-14,20H,3-6,8,10H2,1-2H3,(H,22,24)/t12-,13-,14+/m0/s1
InChIKeyFKUOKCBVMWNYPY-MELADBBJSA-N
MW346.40 g/mol
LogP2.41
Rot. Bonds6

About 2-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]acetamide

2-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]acetamide (PubChem CID 95608923) has the molecular formula C16H25F3N4O and a molecular weight of 346.40 g/mol. Its IUPAC name is 2-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]acetamide.

Molecular Properties

Compound Name2-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]acetamide
PubChem CID95608923
Molecular FormulaC16H25F3N4O
Molecular Weight346.40 g/mol
Exact Mass346.20
IUPAC Name2-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]acetamide
SMILESCc1cnn(C[C@H](C)NCC(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)c1
InChIInChI=1S/C16H25F3N4O/c1-11-7-21-23(9-11)10-12(2)20-8-15(24)22-14-5-3-4-13(6-14)16(17,18)19/h7,9,12-14,20H,3-6,8,10H2,1-2H3,(H,22,24)/t12-,13-,14+/m0/s1
InChIKeyFKUOKCBVMWNYPY-MELADBBJSA-N
XLogP2.41
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.40
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]acetamide?
The IUPAC name of 2-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]acetamide (CID 95608923) is 2-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]acetamide.
What is the SMILES notation for 2-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]acetamide?
The canonical SMILES for 2-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]acetamide is Cc1cnn(C[C@H](C)NCC(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)c1.
What is the InChIKey of 2-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]acetamide?
The InChIKey is FKUOKCBVMWNYPY-MELADBBJSA-N. The full InChI is InChI=1S/C16H25F3N4O/c1-11-7-21-23(9-11)10-12(2)20-8-15(24)22-14-5-3-4-13(6-14)16(17,18)19/h7,9,12-14,20H,3-6,8,10H2,1-2H3,(H,22,24)/t12-,13-,14+/m0/s1.
What are the key properties of 2-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]acetamide?
2-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]acetamide has a molecular weight of 346.40 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]acetamide is sourced from PubChem (CID 95608923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).