2-[[(2S,3S)-3-pyrazol-1-ylbutan-2-yl]amino]-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]acetamide

C16H25F3N4O — CID 95979421

IUPAC2-[[(2S,3S)-3-pyrazol-1-ylbutan-2-yl]amino]-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]acetamide
SMILESC[C@H](NCC(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1)[C@H](C)n1cccn1
InChIInChI=1S/C16H25F3N4O/c1-11(12(2)23-8-4-7-21-23)20-10-15(24)22-14-6-3-5-13(9-14)16(17,18)19/h4,7-8,11-14,20H,3,5-6,9-10H2,1-2H3,(H,22,24)/t11-,12-,13-,14+/m0/s1
InChIKeyXBCVQAKRNKMGNV-XDQVBPFNSA-N
MW346.40 g/mol
LogP2.66
Rot. Bonds6

About 2-[[(2S,3S)-3-pyrazol-1-ylbutan-2-yl]amino]-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]acetamide

2-[[(2S,3S)-3-pyrazol-1-ylbutan-2-yl]amino]-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]acetamide (PubChem CID 95979421) has the molecular formula C16H25F3N4O and a molecular weight of 346.40 g/mol. Its IUPAC name is 2-[[(2S,3S)-3-pyrazol-1-ylbutan-2-yl]amino]-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]acetamide.

Molecular Properties

Compound Name2-[[(2S,3S)-3-pyrazol-1-ylbutan-2-yl]amino]-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]acetamide
PubChem CID95979421
Molecular FormulaC16H25F3N4O
Molecular Weight346.40 g/mol
Exact Mass346.20
IUPAC Name2-[[(2S,3S)-3-pyrazol-1-ylbutan-2-yl]amino]-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]acetamide
SMILESC[C@H](NCC(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1)[C@H](C)n1cccn1
InChIInChI=1S/C16H25F3N4O/c1-11(12(2)23-8-4-7-21-23)20-10-15(24)22-14-6-3-5-13(9-14)16(17,18)19/h4,7-8,11-14,20H,3,5-6,9-10H2,1-2H3,(H,22,24)/t11-,12-,13-,14+/m0/s1
InChIKeyXBCVQAKRNKMGNV-XDQVBPFNSA-N
XLogP2.66
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 ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[(2S,3S)-3-pyrazol-1-ylbutan-2-yl]amino]-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]acetamide with MolForge

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Related Compounds

2-[1-(cyclohexylmethyl)-3-oxo-2-piperazinyl]-N-ethyl-N-[2-(1H-pyrazol-1-yl)ethyl]acetamide
CID 16187737
N-[2-oxo-2-(3-pyrazol-1-ylpropylamino)ethyl]cyclohexanecarboxamide
CID 37393188
N-(1-ethylpiperidin-4-yl)-2-(1-pyrazol-1-ylpropan-2-ylamino)acetamide
CID 53556864
N-(1-cyanocyclohexyl)-2-{[1-(1H-pyrazol-1-yl)propan-2-yl]amino}acetamide
CID 53558741
N-(1-ethylpiperidin-4-yl)-2-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 53618683
N-(1-cyanocyclohexyl)-2-{[2-(1H-pyrazol-1-yl)ethyl]amino}acetamide
CID 72140751
N-(1-cyanocyclohexyl)-N-methyl-2-{[2-(1H-pyrazol-1-yl)ethyl]amino}acetamide
CID 72140776
N-(2-methylcyclohexyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 47005565
N-cyclohexyl-2-(1H-pyrazol-1-yl)acetamide
CID 39723150
N-[(3S)-1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-3-pyrazol-1-ylpropanamide
CID 42211584
N-methyl-N-(4-methylcyclohexyl)-2-pyrazol-1-ylacetamide
CID 45805440
1-(2-(1H-pyrazol-1-yl)acetyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 49722725

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S,3S)-3-pyrazol-1-ylbutan-2-yl]amino]-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]acetamide?
The IUPAC name of 2-[[(2S,3S)-3-pyrazol-1-ylbutan-2-yl]amino]-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]acetamide (CID 95979421) is 2-[[(2S,3S)-3-pyrazol-1-ylbutan-2-yl]amino]-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]acetamide.
What is the SMILES notation for 2-[[(2S,3S)-3-pyrazol-1-ylbutan-2-yl]amino]-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]acetamide?
The canonical SMILES for 2-[[(2S,3S)-3-pyrazol-1-ylbutan-2-yl]amino]-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]acetamide is C[C@H](NCC(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1)[C@H](C)n1cccn1.
What is the InChIKey of 2-[[(2S,3S)-3-pyrazol-1-ylbutan-2-yl]amino]-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]acetamide?
The InChIKey is XBCVQAKRNKMGNV-XDQVBPFNSA-N. The full InChI is InChI=1S/C16H25F3N4O/c1-11(12(2)23-8-4-7-21-23)20-10-15(24)22-14-6-3-5-13(9-14)16(17,18)19/h4,7-8,11-14,20H,3,5-6,9-10H2,1-2H3,(H,22,24)/t11-,12-,13-,14+/m0/s1.
What are the key properties of 2-[[(2S,3S)-3-pyrazol-1-ylbutan-2-yl]amino]-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]acetamide?
2-[[(2S,3S)-3-pyrazol-1-ylbutan-2-yl]amino]-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]acetamide has a molecular weight of 346.40 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S,3S)-3-pyrazol-1-ylbutan-2-yl]amino]-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]acetamide is sourced from PubChem (CID 95979421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).