[(1R,3S)-3-[1-tert-butyl-5-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]pyrazol-3-yl]cyclopentyl] N-[(2S)-4,4,4-trifluorobutan-2-yl]carbamate

C24H35F3N6O4 — CID 162369130

IUPAC[(1R,3S)-3-[1-tert-butyl-5-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]pyrazol-3-yl]cyclopentyl] N-[(2S)-4,4,4-trifluorobutan-2-yl]carbamate
SMILESCOCc1cc(C(=O)Nc2cc([C@H]3CC[C@@H](OC(=O)N[C@@H](C)CC(F)(F)F)C3)nn2C(C)(C)C)n(C)n1
InChIInChI=1S/C24H35F3N6O4/c1-14(12-24(25,26)27)28-22(35)37-17-8-7-15(9-17)18-11-20(33(31-18)23(2,3)4)29-21(34)19-10-16(13-36-6)30-32(19)5/h10-11,14-15,17H,7-9,12-13H2,1-6H3,(H,28,35)(H,29,34)/t14-,15-,17+/m0/s1
InChIKeyCDDMWBLCZRXCHV-YQQAZPJKSA-N
MW528.58 g/mol
LogP4.47
Rot. Bonds8

About [(1R,3S)-3-[1-tert-butyl-5-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]pyrazol-3-yl]cyclopentyl] N-[(2S)-4,4,4-trifluorobutan-2-yl]carbamate

[(1R,3S)-3-[1-tert-butyl-5-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]pyrazol-3-yl]cyclopentyl] N-[(2S)-4,4,4-trifluorobutan-2-yl]carbamate (PubChem CID 162369130) has the molecular formula C24H35F3N6O4 and a molecular weight of 528.58 g/mol. Its IUPAC name is [(1R,3S)-3-[1-tert-butyl-5-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]pyrazol-3-yl]cyclopentyl] N-[(2S)-4,4,4-trifluorobutan-2-yl]carbamate.

Molecular Properties

Compound Name[(1R,3S)-3-[1-tert-butyl-5-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]pyrazol-3-yl]cyclopentyl] N-[(2S)-4,4,4-trifluorobutan-2-yl]carbamate
PubChem CID162369130
Molecular FormulaC24H35F3N6O4
Molecular Weight528.58 g/mol
Exact Mass528.27
IUPAC Name[(1R,3S)-3-[1-tert-butyl-5-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]pyrazol-3-yl]cyclopentyl] N-[(2S)-4,4,4-trifluorobutan-2-yl]carbamate
SMILESCOCc1cc(C(=O)Nc2cc([C@H]3CC[C@@H](OC(=O)N[C@@H](C)CC(F)(F)F)C3)nn2C(C)(C)C)n(C)n1
InChIInChI=1S/C24H35F3N6O4/c1-14(12-24(25,26)27)28-22(35)37-17-8-7-15(9-17)18-11-20(33(31-18)23(2,3)4)29-21(34)19-10-16(13-36-6)30-32(19)5/h10-11,14-15,17H,7-9,12-13H2,1-6H3,(H,28,35)(H,29,34)/t14-,15-,17+/m0/s1
InChIKeyCDDMWBLCZRXCHV-YQQAZPJKSA-N
XLogP4.47
TPSA112.30 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.58
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze [(1R,3S)-3-[1-tert-butyl-5-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]pyrazol-3-yl]cyclopentyl] N-[(2S)-4,4,4-trifluorobutan-2-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(1R,3S)-3-[1-tert-butyl-5-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]pyrazol-3-yl]cyclopentyl] N-[(2S)-4,4,4-trifluorobutan-2-yl]carbamate?
The IUPAC name of [(1R,3S)-3-[1-tert-butyl-5-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]pyrazol-3-yl]cyclopentyl] N-[(2S)-4,4,4-trifluorobutan-2-yl]carbamate (CID 162369130) is [(1R,3S)-3-[1-tert-butyl-5-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]pyrazol-3-yl]cyclopentyl] N-[(2S)-4,4,4-trifluorobutan-2-yl]carbamate.
What is the SMILES notation for [(1R,3S)-3-[1-tert-butyl-5-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]pyrazol-3-yl]cyclopentyl] N-[(2S)-4,4,4-trifluorobutan-2-yl]carbamate?
The canonical SMILES for [(1R,3S)-3-[1-tert-butyl-5-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]pyrazol-3-yl]cyclopentyl] N-[(2S)-4,4,4-trifluorobutan-2-yl]carbamate is COCc1cc(C(=O)Nc2cc([C@H]3CC[C@@H](OC(=O)N[C@@H](C)CC(F)(F)F)C3)nn2C(C)(C)C)n(C)n1.
What is the InChIKey of [(1R,3S)-3-[1-tert-butyl-5-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]pyrazol-3-yl]cyclopentyl] N-[(2S)-4,4,4-trifluorobutan-2-yl]carbamate?
The InChIKey is CDDMWBLCZRXCHV-YQQAZPJKSA-N. The full InChI is InChI=1S/C24H35F3N6O4/c1-14(12-24(25,26)27)28-22(35)37-17-8-7-15(9-17)18-11-20(33(31-18)23(2,3)4)29-21(34)19-10-16(13-36-6)30-32(19)5/h10-11,14-15,17H,7-9,12-13H2,1-6H3,(H,28,35)(H,29,34)/t14-,15-,17+/m0/s1.
What are the key properties of [(1R,3S)-3-[1-tert-butyl-5-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]pyrazol-3-yl]cyclopentyl] N-[(2S)-4,4,4-trifluorobutan-2-yl]carbamate?
[(1R,3S)-3-[1-tert-butyl-5-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]pyrazol-3-yl]cyclopentyl] N-[(2S)-4,4,4-trifluorobutan-2-yl]carbamate has a molecular weight of 528.58 g/mol, XLogP of 4.47, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3S)-3-[1-tert-butyl-5-[[3-(methoxymethyl)-1-methylpyrazole-5-carbonyl]amino]pyrazol-3-yl]cyclopentyl] N-[(2S)-4,4,4-trifluorobutan-2-yl]carbamate is sourced from PubChem (CID 162369130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).