N-[(1R,2R)-2-[[2-(1-propan-2-ylpyrazol-4-yl)cyclopropanecarbonyl]amino]cyclopentyl]-1-thiophen-2-ylcyclopropane-1-carboxamide

C23H30N4O2S — CID 167874612

IUPACN-[(1R,2R)-2-[[2-(1-propan-2-ylpyrazol-4-yl)cyclopropanecarbonyl]amino]cyclopentyl]-1-thiophen-2-ylcyclopropane-1-carboxamide
SMILESCC(C)n1cc(C2CC2C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2(c3cccs3)CC2)cn1
InChIInChI=1S/C23H30N4O2S/c1-14(2)27-13-15(12-24-27)16-11-17(16)21(28)25-18-5-3-6-19(18)26-22(29)23(8-9-23)20-7-4-10-30-20/h4,7,10,12-14,16-19H,3,5-6,8-9,11H2,1-2H3,(H,25,28)(H,26,29)/t16?,17?,18-,19-/m1/s1
InChIKeyDQHFRTMANHYWFG-CSODTCANSA-N
MW426.59 g/mol
LogP3.51
Rot. Bonds7

About N-[(1R,2R)-2-[[2-(1-propan-2-ylpyrazol-4-yl)cyclopropanecarbonyl]amino]cyclopentyl]-1-thiophen-2-ylcyclopropane-1-carboxamide

N-[(1R,2R)-2-[[2-(1-propan-2-ylpyrazol-4-yl)cyclopropanecarbonyl]amino]cyclopentyl]-1-thiophen-2-ylcyclopropane-1-carboxamide (PubChem CID 167874612) has the molecular formula C23H30N4O2S and a molecular weight of 426.59 g/mol. Its IUPAC name is N-[(1R,2R)-2-[[2-(1-propan-2-ylpyrazol-4-yl)cyclopropanecarbonyl]amino]cyclopentyl]-1-thiophen-2-ylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-[[2-(1-propan-2-ylpyrazol-4-yl)cyclopropanecarbonyl]amino]cyclopentyl]-1-thiophen-2-ylcyclopropane-1-carboxamide
PubChem CID167874612
Molecular FormulaC23H30N4O2S
Molecular Weight426.59 g/mol
Exact Mass426.21
IUPAC NameN-[(1R,2R)-2-[[2-(1-propan-2-ylpyrazol-4-yl)cyclopropanecarbonyl]amino]cyclopentyl]-1-thiophen-2-ylcyclopropane-1-carboxamide
SMILESCC(C)n1cc(C2CC2C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2(c3cccs3)CC2)cn1
InChIInChI=1S/C23H30N4O2S/c1-14(2)27-13-15(12-24-27)16-11-17(16)21(28)25-18-5-3-6-19(18)26-22(29)23(8-9-23)20-7-4-10-30-20/h4,7,10,12-14,16-19H,3,5-6,8-9,11H2,1-2H3,(H,25,28)(H,26,29)/t16?,17?,18-,19-/m1/s1
InChIKeyDQHFRTMANHYWFG-CSODTCANSA-N
XLogP3.51
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.59
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(1R,2R)-2-[[2-(1-propan-2-ylpyrazol-4-yl)cyclopropanecarbonyl]amino]cyclopentyl]-1-thiophen-2-ylcyclopropane-1-carboxamide with MolForge

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Related Compounds

trans-(1S,2S)-2-phenyl-N-(1-propan-2-ylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 95171765
N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-2-(1-propan-2-ylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 154876523
N-(2-methylpiperidin-4-yl)-1-thiophen-2-ylcyclohexane-1-carboxamide
CID 120601282
N-[(1R,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-1-thiophen-2-ylcyclohexane-1-carboxamide
CID 129378562
N-(2,6-dimethylcyclohexyl)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 71935713
[(1R,2S)-2-phenylcyclopropyl]-[4-(1-thiophen-2-ylcyclopentanecarbonyl)piperazin-1-yl]methanone
CID 51894500
N',N'-dimethyl-1-thiophen-2-ylcyclopropane-1-carbohydrazide
CID 116848288
trans-(1R,2R)-N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxan-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 138017013
N-[(1S,3R,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
CID 97040077
N-[(1R,3R,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
CID 97040076
N-cyclopropyl-2-thiophen-2-ylcyclopropane-1-carboxamide
CID 110681267
N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
CID 121137407

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-[[2-(1-propan-2-ylpyrazol-4-yl)cyclopropanecarbonyl]amino]cyclopentyl]-1-thiophen-2-ylcyclopropane-1-carboxamide?
The IUPAC name of N-[(1R,2R)-2-[[2-(1-propan-2-ylpyrazol-4-yl)cyclopropanecarbonyl]amino]cyclopentyl]-1-thiophen-2-ylcyclopropane-1-carboxamide (CID 167874612) is N-[(1R,2R)-2-[[2-(1-propan-2-ylpyrazol-4-yl)cyclopropanecarbonyl]amino]cyclopentyl]-1-thiophen-2-ylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[(1R,2R)-2-[[2-(1-propan-2-ylpyrazol-4-yl)cyclopropanecarbonyl]amino]cyclopentyl]-1-thiophen-2-ylcyclopropane-1-carboxamide?
The canonical SMILES for N-[(1R,2R)-2-[[2-(1-propan-2-ylpyrazol-4-yl)cyclopropanecarbonyl]amino]cyclopentyl]-1-thiophen-2-ylcyclopropane-1-carboxamide is CC(C)n1cc(C2CC2C(=O)N[C@@H]2CCC[C@H]2NC(=O)C2(c3cccs3)CC2)cn1.
What is the InChIKey of N-[(1R,2R)-2-[[2-(1-propan-2-ylpyrazol-4-yl)cyclopropanecarbonyl]amino]cyclopentyl]-1-thiophen-2-ylcyclopropane-1-carboxamide?
The InChIKey is DQHFRTMANHYWFG-CSODTCANSA-N. The full InChI is InChI=1S/C23H30N4O2S/c1-14(2)27-13-15(12-24-27)16-11-17(16)21(28)25-18-5-3-6-19(18)26-22(29)23(8-9-23)20-7-4-10-30-20/h4,7,10,12-14,16-19H,3,5-6,8-9,11H2,1-2H3,(H,25,28)(H,26,29)/t16?,17?,18-,19-/m1/s1.
What are the key properties of N-[(1R,2R)-2-[[2-(1-propan-2-ylpyrazol-4-yl)cyclopropanecarbonyl]amino]cyclopentyl]-1-thiophen-2-ylcyclopropane-1-carboxamide?
N-[(1R,2R)-2-[[2-(1-propan-2-ylpyrazol-4-yl)cyclopropanecarbonyl]amino]cyclopentyl]-1-thiophen-2-ylcyclopropane-1-carboxamide has a molecular weight of 426.59 g/mol, XLogP of 3.51, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-[[2-(1-propan-2-ylpyrazol-4-yl)cyclopropanecarbonyl]amino]cyclopentyl]-1-thiophen-2-ylcyclopropane-1-carboxamide is sourced from PubChem (CID 167874612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).